 | | UFN | | Name: | Modified form of Cinnamtannin B1 with sp3 hybridized C5' | | Formula: | C45 H38 O18 | | SMILES: | O[CH]1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](OC4=C3[CH](O)CC5=C4[CH]6[CH](O)[C](O5)(Oc7cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[CH]1c%10ccc(O)c(O)c%10 | | InChi: | InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13,29-30,37-41,44,46-59H,12,14H2/t29-,30+,37-,38+,39+,40+,41+,44+,45-/m0/s1 | | Synonyms: | Cca6 | | Definition date: | 2021-02-12 | | Last modified: | 2021-08-13 | | Release date: | 2021-08-18 |
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 | | UJE | | Name: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide | | Formula: | C14 H24 N4 O2 S | | SMILES: | O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N[CH]3CCNC3 | | InChi: | InChI=1S/C14H24N4O2S/c19-12(16-9-5-6-15-7-9)4-2-1-3-11-13-10(8-21-11)17-14(20)18-13/h9-11,13,15H,1-8H2,(H,16,19)(H2,17,18,20)/t9-,10-,11-,13-/m0/s1 | | Synonyms: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{S})-pyrrolidin-3-yl]pentanamide | | Definition date: | 2021-02-23 | | Last modified: | 2021-08-13 | | Release date: | 2021-08-18 | | Identifier: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{S})-pyrrolidin-3-yl]pentanamide |
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 | | HOF | | Name: | methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate | | Formula: | C19 H24 N2 O5 | | SMILES: | COC(=O)c1ccc(COC(=O)N[CH]2C=CCC[CH]2C(=O)N(C)C)cc1 | | InChi: | InChI=1S/C19H24N2O5/c1-21(2)17(22)15-6-4-5-7-16(15)20-19(24)26-12-13-8-10-14(11-9-13)18(23)25-3/h5,7-11,15-16H,4,6,12H2,1-3H3,(H,20,24)/t15-,16-/m0/s1 | | Definition date: | 2021-01-25 | | Last modified: | 2021-08-13 | | Release date: | 2021-08-18 | | Identifier: | methyl 4-[[(1~{S},6~{S})-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate |
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 | | HV6 | | Name: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one | | Formula: | C12 H9 F5 O4 | | SMILES: | COc1ccc(c(O)c1)C(=O)C=C(O)C(F)(F)C(F)(F)F | | InChi: | InChI=1S/C12H9F5O4/c1-21-6-2-3-7(8(18)4-6)9(19)5-10(20)11(13,14)12(15,16)17/h2-5,18,20H,1H3/b10-5- | | Definition date: | 2021-02-05 | | Last modified: | 2021-08-13 | | Release date: | 2021-08-18 | | Identifier: | (~{Z})-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one |
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 | | 07D | | Name: | Trans-Geranyl BACTERIOCHLOROPHYLL A | | Formula: | C55 H64 Mg N4 O6 | | SMILES: | CCc1c(C)c2C=C3N=C(C=C4[N]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[CH](C(=O)OC)C(=O)C7=C6C)C(=C3C(C)=O)C | | InChi: | InChI=1S/C55H65N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3 | | Definition date: | 2021-06-07 | | Last modified: | 2021-08-13 | | Release date: | 2021-08-18 |
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 | | 08I | | Name: | Trans-Geranyl BACTERIOPHEOPHYTIN A | | Formula: | C55 H66 N4 O6 | | SMILES: | CCc1c(C)c2[nH]c1cc3nc4c([CH](C(=O)OC)C(=O)c4c3C)c5[nH]c(cc6nc(c2)c(C(C)=O)c6C)c(C)c5CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | | InChi: | InChI=1S/C55H66N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h17,19,21,25,27-29,51,56,58H,13-16,18,20,22-24,26H2,1-12H3/b31-19+,32-21+,33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t51-/m1/s1 | | Definition date: | 2021-06-07 | | Last modified: | 2021-08-13 | | Release date: | 2021-08-18 |
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 | | AJP | | Name: | Digitonin | | Formula: | C56 H92 O29 | | SMILES: | CC1C2C(OC31CCC(C)CO3)C(O)C1C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC4(C)C3CCC21C | | InChi: | InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1 | | Definition date: | 2017-07-18 | | Last modified: | 2021-08-12 | | Release date: | 2017-08-02 | | Identifier: | (25R)-2beta,15alpha-dihydroxy-5beta,8alpha,10alpha,14beta,17beta-spirostan-3alpha-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside |
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 | | 16B | | Name: | N-hydroxycytidine 5'-(dihydrogen phosphate) | | Formula: | C9 H14 N3 O9 P | | SMILES: | O=P(O)(O)OCC1OC(N2C=CC(=NC2=O)NO)C(O)C1O | | InChi: | InChI=1S/C9H14N3O9P/c13-6-4(3-20-22(17,18)19)21-8(7(6)14)12-2-1-5(11-16)10-9(12)15/h1-2,4,6-8,13-14,16H,3H2,(H,10,11,15)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2012-10-18 | | Last modified: | 2021-08-11 | | Release date: | 2012-11-09 | | Identifier: | N-hydroxycytidine 5'-(dihydrogen phosphate) |
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 | | CNC | | Name: | CYANOCOBALAMIN | | Formula: | C63 H89 Co N14 O14 P | | SMILES: | NC(=O)CC1(C)C2=C(C)C=3C(CCC(N)=O)C(C)(CC(N)=O)C4(C)N=3[Co+2]35(C#N)N2=C(C=C2n3c(C(CCC(N)=O)C2(C)C)c(C)c2n5C4C(CC(N)=O)C2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)C1CCC(N)=O | | InChi: | InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56 | | Definition date: | 1999-07-08 | | Last modified: | 2021-08-10 | | Identifier: | (cyanido-kappaC)[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]cobalt(2+) (non-preferred name) |
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 | | HZZ | | Name: | [(2~{Z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate | | Formula: | C10 H19 O4 P | | SMILES: | CC(C)=CCCC(C)=CCO[P](O)(O)=O | | InChi: | InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7- | | Synonyms: | [(2Z)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate | | Definition date: | 2019-02-01 | | Last modified: | 2021-08-10 | | Release date: | 2019-06-05 | | Identifier: | [(2~{Z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate |
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 | | YG7 | | Name: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide | | Formula: | C26 H27 N5 O2 | | SMILES: | N#Cc1ccc2[NH]cc(CCCCN3CCN(CC3)c3cc4cc(oc4cc3)C(N)=O)c2c1 | | InChi: | InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32) | | Definition date: | 2021-03-02 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide |
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 | | ZMD | | Name: | (3S)-2,1-benzoxaborole-1,3(3H)-diol | | Formula: | C7 H7 B O3 | | SMILES: | OB1OC(O)c2ccccc12 | | InChi: | InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1 | | Definition date: | 2021-05-07 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (3S)-2,1-benzoxaborole-1,3(3H)-diol |
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 | | Y1G | | Name: | (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid | | Formula: | C16 H11 Br O3 | | SMILES: | c1c(Br)cc2c(c1)c(c(o2)c3ccccc3)CC(O)=O | | InChi: | InChI=1S/C16H11BrO3/c17-11-6-7-12-13(9-15(18)19)16(20-14(12)8-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) | | Definition date: | 2021-01-26 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid |
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 | | XOM | | Name: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one | | Formula: | C18 H21 Cl N2 O4 | | SMILES: | c4(COC3CN(C(=O)C2CC1(COC(=O)N1)C2)C3)ccc(c(c4)Cl)C | | InChi: | InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+ | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one |
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 | | XOV | | Name: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one | | Formula: | C19 H22 Cl F N2 O4 | | SMILES: | c1(ccc(cc1Cl)F)OCC4CCN(C(C3CC2(COC(=O)N2)C3)=O)CC4 | | InChi: | InChI=1S/C19H22ClFN2O4/c20-15-7-14(21)1-2-16(15)26-10-12-3-5-23(6-4-12)17(24)13-8-19(9-13)11-27-18(25)22-19/h1-2,7,12-13H,3-6,8-11H2,(H,22,25)/t13-,19+ | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one |
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 | | XP7 | | Name: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one | | Formula: | C19 H24 Cl F N2 O3 | | SMILES: | c3(OCC2CCN(C(=O)CCC1CCC(N1)=O)CC2)c(Cl)cc(cc3)F | | InChi: | InChI=1S/C19H24ClFN2O3/c20-16-11-14(21)1-4-17(16)26-12-13-7-9-23(10-8-13)19(25)6-3-15-2-5-18(24)22-15/h1,4,11,13,15H,2-3,5-10,12H2,(H,22,24)/t15-/m0/s1 | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one |
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 | | Y67 | | Name: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide | | Formula: | C26 H20 Cl N5 O2 | | SMILES: | Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)C5=CC=CNC5=O)c1 | | InChi: | InChI=1S/C26H20ClN5O2/c27-20-6-3-5-18(15-20)16-31(25(33)17-32-24-9-2-1-8-23(24)29-30-32)21-12-10-19(11-13-21)22-7-4-14-28-26(22)34/h1-15H,16-17H2,(H,28,34) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide |
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 | | Y6A | | Name: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide | | Formula: | C22 H18 N6 O S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5c[nH]nc5 | | InChi: | InChI=1S/C22H18N6OS/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-9-10-30-15-16)19-7-5-17(6-8-19)18-11-23-24-12-18/h1-12,15H,13-14H2,(H,23,24) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide |
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 | | Y6D | | Name: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide | | Formula: | C24 H19 N5 O S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5cccnc5 | | InChi: | InChI=1S/C24H19N5OS/c30-24(16-29-23-6-2-1-5-22(23)26-27-29)28(15-18-11-13-31-17-18)21-9-7-19(8-10-21)20-4-3-12-25-14-20/h1-14,17H,15-16H2 | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide |
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 | | Y6G | | Name: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide | | Formula: | C22 H18 N6 O S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5c[nH]cn5 | | InChi: | InChI=1S/C22H18N6OS/c29-22(13-28-21-4-2-1-3-19(21)25-26-28)27(12-16-9-10-30-14-16)18-7-5-17(6-8-18)20-11-23-15-24-20/h1-11,14-15H,12-13H2,(H,23,24) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide |
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 | | XPD | | Name: | 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one | | Formula: | C21 H20 Cl F N2 O4 | | SMILES: | c4cc(OCC3CCN(C(c2cc1NC(=O)COc1cc2)=O)CC3)c(cc4F)Cl | | InChi: | InChI=1S/C21H20ClFN2O4/c22-16-10-15(23)2-4-18(16)28-11-13-5-7-25(8-6-13)21(27)14-1-3-19-17(9-14)24-20(26)12-29-19/h1-4,9-10,13H,5-8,11-12H2,(H,24,26) | | Definition date: | 2020-12-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one |
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 | | Y6J | | Name: | ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide | | Formula: | C23 H21 N5 O2 S | | SMILES: | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)C5CC5)cc4 | | InChi: | InChI=1S/C23H21N5O2S/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-11-12-31-15-16)19-9-7-18(8-10-19)24-23(30)17-5-6-17/h1-4,7-12,15,17H,5-6,13-14H2,(H,24,30) | | Definition date: | 2021-02-08 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide |
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 | | XPV | | Name: | (6-phenyl-1-benzofuran-3-yl)acetic acid | | Formula: | C16 H12 O3 | | SMILES: | O=C(O)Cc1coc2cc(ccc12)c3ccccc3 | | InChi: | InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18) | | Definition date: | 2020-12-29 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (6-phenyl-1-benzofuran-3-yl)acetic acid |
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 | | XQ1 | | Name: | [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid | | Formula: | C17 H14 O4 | | SMILES: | c1ccc(OC)cc1c2ccc3c(coc3c2)CC(O)=O | | InChi: | InChI=1S/C17H14O4/c1-20-14-4-2-3-11(7-14)12-5-6-15-13(9-17(18)19)10-21-16(15)8-12/h2-8,10H,9H2,1H3,(H,18,19) | | Definition date: | 2020-12-29 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid |
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 | | G9U | | Name: | (6R)-6-[(6-bromanyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one | | Formula: | C20 H18 Br N O | | SMILES: | Brc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1 | | InChi: | InChI=1S/C20H18BrNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1 | | Definition date: | 2020-08-10 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (6~{R})-6-[(6-bromanyl-1~{H}-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one |
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