 | Y86 | Name: | [(2~{R})-1-[(9~{Z},12~{Z},15~{E})-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxy-propan-2-yl] nonadecanoate | Formula: | C40 H73 O8 P | SMILES: | O=C(OC(COP(O)(O)=O)COC(=O)CCCCCCC/C=CC/C=CCC=CCC)CCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C40H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,38H,3-5,7,9-11,13,15-17,19,21-37H2,1-2H3,(H2,43,44,45)/b8-6+,14-12-,20-18-/t38-/m1/s1 | Definition date: | 2023-11-27 | Last modified: | 2024-11-28 | Release date: | 2024-11-27 | Identifier: | (2R)-1-{[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxy}-3-(phosphonooxy)propan-2-yl nonadecanoate |
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 | A1HZ9 | Name: | [(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron | Formula: | C7 H18 B N2 O5 | SMILES: | NC[CH](CCC[B](O)(O)O)[CH](N)C(O)=O | InChi: | InChI=1S/C7H18BN2O5/c9-4-5(6(10)7(11)12)2-1-3-8(13,14)15/h5-6,13-15H,1-4,9-10H2,(H,11,12)/t5-,6+/m1/s1 | Definition date: | 2023-12-14 | Last modified: | 2024-11-27 | Release date: | 2024-11-27 | Identifier: | [(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron |
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 | A1LZV | Name: | Cdp-DG(16:0/16:0) | Formula: | C44 H81 N3 O15 P2 | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1 | Synonyms: | 1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate | Definition date: | 2024-03-29 | Last modified: | 2024-11-27 | Release date: | 2024-11-20 | Identifier: | [(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate |
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 | P7I | Name: | (2-aminoethyl)phosphonic acid | Formula: | C2 H8 N O3 P | SMILES: | O=P(O)(O)CCN | InChi: | InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) | Definition date: | 2010-10-20 | Last modified: | 2024-11-26 | Identifier: | (2-aminoethyl)phosphonic acid |
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 | MLA | Name: | MALONIC ACID | Formula: | C3 H4 O4 | SMILES: | O=C(O)CC(=O)O | InChi: | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) | Synonyms: | DICARBOXYLIC ACID C3 | Definition date: | 2001-08-17 | Last modified: | 2024-11-26 | Identifier: | propanedioic acid |
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 | ZRY | Name: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine | Formula: | C14 H12 N4 | SMILES: | NC1=N/C(=NNc2ccccc2)c2ccccc12 | InChi: | InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18) | Definition date: | 2021-05-28 | Last modified: | 2024-11-25 | Release date: | 2021-09-01 | Identifier: | (1Z)-1-(2-phenylhydrazinylidene)-1H-isoindol-3-amine |
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 | PCS | Name: | PHENYLALANYLMETHYLCHLORIDE | Formula: | C10 H12 Cl N O | SMILES: | ClCC(=O)C(N)Cc1ccccc1 | InChi: | InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1 | Definition date: | 2000-04-05 | Last modified: | 2024-11-25 | Identifier: | (3S)-3-amino-1-chloro-4-phenylbutan-2-one |
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 | Y3H | Name: | ~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | Formula: | C16 H22 O5 | SMILES: | CC(C)(C)OC(=O)[CH]1C[C](C)(CCC1=O)C(=O)OCC#C | InChi: | InChI=1S/C16H22O5/c1-6-9-20-14(19)16(5)8-7-12(17)11(10-16)13(18)21-15(2,3)4/h1,11H,7-10H2,2-5H3/t11-,16-/m0/s1 | Definition date: | 2023-11-16 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | ~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
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 | ZKI | Name: | 6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine | Formula: | C17 H14 Cl2 N4 O | SMILES: | Clc1cc2c(nnc(c3ccncc3)c2cc1Cl)NC1CCOC1 | InChi: | InChI=1S/C17H14Cl2N4O/c18-14-7-12-13(8-15(14)19)17(21-11-3-6-24-9-11)23-22-16(12)10-1-4-20-5-2-10/h1-2,4-5,7-8,11H,3,6,9H2,(H,21,23)/t11-/m1/s1 | Definition date: | 2023-06-27 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | 6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine |
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 | Y6K | Name: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate | Formula: | C16 H22 O5 | SMILES: | COC(=O)[C]12C[CH](C(=C)C1)C(=O)[CH](C2)C(=O)OC(C)(C)C | InChi: | InChI=1S/C16H22O5/c1-9-6-16(14(19)20-5)7-10(9)12(17)11(8-16)13(18)21-15(2,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,16+/m1/s1 | Definition date: | 2023-11-23 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate |
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 | A1D5V | Name: | (2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid | Formula: | C34 H59 N O15 | SMILES: | CCCC[CH](C)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C[CH](C)C[CH](O)CCCC[CH](O)C[CH](O)[CH](C)N)OC(=O)C[CH](CC(O)=O)C(O)=O | InChi: | InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1 | Synonyms: | Fumonisin b1 | Definition date: | 2024-02-01 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | (2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid |
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 | A1D74 | Name: | (2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexacosanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid | Formula: | C60 H109 N O16 | SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C[CH](O)CCCC[CH](O)C[CH](C)C[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C)CCCC | InChi: | InChI=1S/C60H109NO16/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36-53(65)61-46(5)51(64)43-50(63)35-32-31-34-49(62)37-44(3)38-52(76-56(70)41-47(59(72)73)39-54(66)67)58(45(4)33-9-7-2)77-57(71)42-48(60(74)75)40-55(68)69/h44-52,58,62-64H,6-43H2,1-5H3,(H,61,65)(H,66,67)(H,68,69)(H,72,73)(H,74,75)/t44-,45+,46-,47+,48+,49+,50+,51-,52-,58+/m0/s1 | Definition date: | 2024-04-29 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | (2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexacosanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid |
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 | YKW | Name: | ~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine | Formula: | C18 H20 Cl N7 | SMILES: | CCN1CCN(CC1)c2nc(Nc3ccc(Cl)cc3)c4nccnc4n2 | InChi: | InChI=1S/C18H20ClN7/c1-2-25-9-11-26(12-10-25)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H,21,22,23,24) | Definition date: | 2023-12-05 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | ~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine |
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 | Y7U | Name: | 2',2'-Difluorodeoxyuridine | Formula: | C9 H10 F2 N2 O5 | SMILES: | OC[CH]1O[CH](N2C=CC(=O)NC2=O)C(F)(F)[CH]1O | InChi: | InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17) | Synonyms: | 1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione | Definition date: | 2023-11-27 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | 1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione |
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 | Y8F | Name: | [(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate | Formula: | C28 H55 O8 P | SMILES: | CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O | InChi: | InChI=1S/C28H55O8P/c1-3-5-7-9-11-13-15-17-19-21-23-28(30)36-26(25-35-37(31,32)33)24-34-27(29)22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/t26-/m0/s1 | Definition date: | 2023-11-27 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | [(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate |
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 | YLW | Name: | 2,5-bis(fluoranyl)pyridine-3-carbonitrile | Formula: | C6 H2 F2 N2 | SMILES: | Fc1cnc(F)c(c1)C#N | InChi: | InChI=1S/C6H2F2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H | Definition date: | 2023-12-05 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | 2,5-bis(fluoranyl)pyridine-3-carbonitrile |
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 | YM0 | Name: | 3-azanylpyrazine-2,6-dicarbonitrile | Formula: | C6 H3 N5 | SMILES: | Nc1ncc(nc1C#N)C#N | InChi: | InChI=1S/C6H3N5/c7-1-4-3-10-6(9)5(2-8)11-4/h3H,(H2,9,10) | Definition date: | 2023-12-05 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | 3-azanylpyrazine-2,6-dicarbonitrile |
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 | YAL | Name: | (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid | Formula: | C28 H37 Cl N2 O4 | SMILES: | Cc1ccc(NC(=O)C[CH](CCC(O)=O)c2noc([CH]3C[CH](C3)CC(C)(C)C)c2C4CC4)c(Cl)c1 | InChi: | InChI=1S/C28H37ClN2O4/c1-16-5-9-22(21(29)11-16)30-23(32)14-19(8-10-24(33)34)26-25(18-6-7-18)27(35-31-26)20-12-17(13-20)15-28(2,3)4/h5,9,11,17-20H,6-8,10,12-15H2,1-4H3,(H,30,32)(H,33,34)/t17-,19-,20+/m0/s1 | Definition date: | 2023-11-28 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid |
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 | A1IHW | Name: | 4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile | Formula: | C19 H20 N4 O6 Ru2 | SMILES: | C[CH]1O[Ru]2(O)O[CH](C)O[Ru](O)(O1)N(CN2c3ccc(cc3)C#N)c4ccc(cc4)C#N | InChi: | InChI=1S/C15H10N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15 | Definition date: | 2024-07-09 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | 4-[11-(4-cyanophenyl)-3,7-dimethyl-1,5-bis(oxidanyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile |
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 | A1IJO | Name: | 1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid | Formula: | C21 H17 F3 N2 O5 | SMILES: | COc1ccc(cc1)N2C=C(C(O)=O)C(=O)N(Cc3cccc(c3C)C(F)(F)F)C2=O | InChi: | InChI=1S/C21H17F3N2O5/c1-12-13(4-3-5-17(12)21(22,23)24)10-26-18(27)16(19(28)29)11-25(20(26)30)14-6-8-15(31-2)9-7-14/h3-9,11H,10H2,1-2H3,(H,28,29) | Definition date: | 2024-08-01 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | 1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid |
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 | A1IJV | Name: | 2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid | Formula: | | SMILES: | COc1ccc(cc1OC)N2N=C(C(O)=O)C(=O)N(Cc3cccc(c3)C(F)(F)F)C2=O | InChi: | InChI=1S/C20H16F3N3O6/c1-31-14-7-6-13(9-15(14)32-2)26-19(30)25(17(27)16(24-26)18(28)29)10-11-4-3-5-12(8-11)20(21,22)23/h3-9H,10H2,1-2H3,(H,28,29) | Definition date: | 2024-08-01 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | 2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid |
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 | A1ILQ | Name: | (2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid | Formula: | C15 H18 N2 O3 S | SMILES: | N[CH](CNC(=O)C1=[SH]CC(=C1)Cc2ccccc2)C(O)=O | InChi: | InChI=1S/C15H18N2O3S/c16-12(15(19)20)8-17-14(18)13-7-11(9-21-13)6-10-4-2-1-3-5-10/h1-5,7,12,21H,6,8-9,16H2,(H,17,18)(H,19,20)/t12-/m1/s1 | Definition date: | 2024-08-19 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | (2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid |
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 | A1ILR | Name: | (2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid | Formula: | C8 H12 N2 O3 S | SMILES: | N[CH](CNC(=O)C1=[SH]CC=C1)C(O)=O | InChi: | InChI=1S/C8H12N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-2,5,14H,3-4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1 | Definition date: | 2024-08-19 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | (2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid |
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 | A1ITO | Name: | (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide | Formula: | C16 H12 Cl N O2 | SMILES: | Clc1cccc(NC(=O)[CH]2CC(=O)c3ccccc23)c1 | InChi: | InChI=1S/C16H12ClNO2/c17-10-4-3-5-11(8-10)18-16(20)14-9-15(19)13-7-2-1-6-12(13)14/h1-8,14H,9H2,(H,18,20)/t14-/m1/s1 | Synonyms: | (1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide | Definition date: | 2024-11-08 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide |
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 | A1ITP | Name: | (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide | Formula: | C26 H21 Cl N2 O3 | SMILES: | Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5=O | InChi: | InChI=1S/C26H21ClN2O3/c27-17-5-3-6-20(15-17)29(19-12-10-18(11-13-19)28-14-4-9-25(28)31)26(32)23-16-24(30)22-8-2-1-7-21(22)23/h1-3,5-8,10-13,15,23H,4,9,14,16H2/t23-/m1/s1 | Synonyms: | (1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide | Definition date: | 2024-11-08 | Last modified: | 2024-11-22 | Release date: | 2024-11-27 | Identifier: | (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide |
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