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26X
26X
表記:1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide
組成式:C27 H27 N7 O2
SMILES:CCC(=O)N1CC(C1)n2cc(c3ccncc3)c(n2)c4cccc(NC(=O)c5cn(cn5)C6CC6)c4
InChi:InChI=1S/C27H27N7O2/c1-2-25(35)32-13-22(14-32)34-15-23(18-8-10-28-11-9-18)26(31-34)19-4-3-5-20(12-19)30-27(36)24-16-33(17-29-24)21-6-7-21/h3-5,8-12,15-17,21-22H,2,6-7,13-14H2,1H3,(H,30,36)
定義日:2023-07-11
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide
2EI
2EI
表記:2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one
組成式:C32 H33 N5 O3
SMILES:CCC(=O)N1C[CH](C[CH]1C)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4
InChi:InChI=1S/C32H33N5O3/c1-4-30(38)36-18-26(14-21(36)2)37-19-29(23-10-12-33-13-11-23)31(34-37)24-6-5-7-27(16-24)40-20-22-8-9-28-25(15-22)17-35(3)32(28)39/h5-13,15-16,19,21,26H,4,14,17-18,20H2,1-3H3/t21-,26+/m1/s1
定義日:2023-07-11
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one
2I0
2I0
表記:1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
組成式:C27 H29 N5 O4
SMILES:CCC(=O)N1CC[CH](C1)n2cc(c(n2)c3cccc(OC)c3)c4ncnc5cc(OC)c(OC)cc45
InChi:InChI=1S/C27H29N5O4/c1-5-25(33)31-10-9-18(14-31)32-15-21(26(30-32)17-7-6-8-19(11-17)34-2)27-20-12-23(35-3)24(36-4)13-22(20)28-16-29-27/h6-8,11-13,15-16,18H,5,9-10,14H2,1-4H3/t18-/m0/s1
定義日:2023-07-11
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
2I6
2I6
表記:1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one
組成式:C25 H25 N5 O4
SMILES:CCC(=O)N1CC(C1)Oc2cc3c(cc2OC)ncnc3c4c[nH]nc4c5cccc(OC)c5
InChi:InChI=1S/C25H25N5O4/c1-4-23(31)30-12-17(13-30)34-22-9-18-20(10-21(22)33-3)26-14-27-25(18)19-11-28-29-24(19)15-6-5-7-16(8-15)32-2/h5-11,14,17H,4,12-13H2,1-3H3,(H,28,29)
定義日:2023-07-11
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one
2II
2II
表記:2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one
組成式:C31 H31 N5 O3
SMILES:CCC(=O)N1CC[CH](C1)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4
InChi:InChI=1S/C31H31N5O3/c1-3-29(37)35-14-11-25(18-35)36-19-28(22-9-12-32-13-10-22)30(33-36)23-5-4-6-26(16-23)39-20-21-7-8-27-24(15-21)17-34(2)31(27)38/h4-10,12-13,15-16,19,25H,3,11,14,17-18,20H2,1-2H3/t25-/m0/s1
定義日:2023-07-11
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one
68X
68X
表記:(2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide
組成式:C22 H39 N O6
SMILES:CCCCCCC=CCCCCCC=CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
InChi:InChI=1S/C22H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)23-19-21(27)20(26)17(16-24)29-22(19)28/h7-8,14-15,17,19-22,24,26-28H,2-6,9-13,16H2,1H3,(H,23,25)/b8-7+,15-14-/t17-,19-,20+,21+,22+/m0/s1
定義日:2023-01-12
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:(2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide
9S2
9S2
表記:(2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name)
組成式:C30 H38 N15 O19 P3
SMILES:Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O
InChi:InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(60-28)2-57-67(55,56)64-20-12(61-30(21(20)62-65(50,51)52)45-9-42-15-24(33)36-6-39-27(15)45)3-58-66(53,54)63-19-10(1-46)59-29(18(19)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18+,19?,20-,21-,28+,29-,30?/m1/s1
定義日:2023-07-14
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:(2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name)
A1AAY
A1AAY
表記:{3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
組成式:C28 H26 N4 O
SMILES:CN(C)C1CCN(C1)C(=O)c1cc2c(cc1)[NH]nc2C#Cc1ccccc1c1ccccc1
InChi:InChI=1S/C28H26N4O/c1-31(2)23-16-17-32(19-23)28(33)22-13-15-27-25(18-22)26(29-30-27)14-12-21-10-6-7-11-24(21)20-8-4-3-5-9-20/h3-11,13,15,18,23H,16-17,19H2,1-2H3,(H,29,30)/t23-/m1/s1
定義日:2024-01-02
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:{3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
A1ADC
A1ADC
表記:[2-chloranyl-4-[[[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]-fluoranyl-oxidanylidene-$l^{5}-sulfanyl]amino]phenyl]-[(2~{S})-2-phenylmorpholin-4-yl]methanone
組成式:C23 H28 Cl F N4 O3 S
SMILES:O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl
InChi:InChI=1S/C23H28ClFN4O3S/c1-27(2)19-10-11-29(15-19)33(25,31)26-18-8-9-20(21(24)14-18)23(30)28-12-13-32-22(16-28)17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/t19-,22+,33+/m0/s1
定義日:2024-01-19
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:(S~1~S,3S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride
A1D67
A1D67
表記:5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine
組成式:C6 H11 N3 S
SMILES:Cc1nc(N)sc1CCN
InChi:InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
別名:Amthamine
定義日:2024-03-29
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine
A1D68
A1D68
表記:2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine
組成式:C14 H12 Cl N3 O S
SMILES:COc1ccc(cc1)N(C)c2nc(Cl)nc3sccc23
InChi:InChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)12-11-7-8-20-13(11)17-14(15)16-12/h3-8H,1-2H3
定義日:2024-03-29
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine
A1D69
A1D69
表記:2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine
組成式:C14 H12 Cl N3 O S
SMILES:COc1ccc(cc1)N(C)c2nc(Cl)nc3ccsc23
InChi:InChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)13-12-11(7-8-20-12)16-14(15)17-13/h3-8H,1-2H3
定義日:2024-03-29
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine
A1D7A
A1D7A
表記:4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
組成式:C15 H11 Cl N4 O2 S
SMILES:COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccsc34
InChi:InChI=1S/C15H11ClN4O2S/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21)
定義日:2024-03-29
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
A1H8G
A1H8G
表記:ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
組成式:C30 H36 N4 O5
SMILES:CCOC(=O)C1=C(OC)N=C2[CH](CCCN2C1=O)N([CH](C)c3ccccc3)C(=O)Nc4ccccc4C(C)C
InChi:InChI=1S/C30H36N4O5/c1-6-39-29(36)25-27(38-5)32-26-24(17-12-18-33(26)28(25)35)34(20(4)21-13-8-7-9-14-21)30(37)31-23-16-11-10-15-22(23)19(2)3/h7-11,13-16,19-20,24H,6,12,17-18H2,1-5H3,(H,31,37)
定義日:2024-04-16
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
A1L0G
A1L0G
表記:[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate
組成式:C20 H22 N8 O7 S
SMILES:N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4cccc(c4)C#N
InChi:InChI=1S/C20H22N8O7S/c21-6-10-2-1-3-11(4-10)12(22)5-14(29)27-36(32,33)34-7-13-16(30)17(31)20(35-13)28-9-26-15-18(23)24-8-25-19(15)28/h1-4,8-9,12-13,16-17,20,30-31H,5,7,22H2,(H,27,29)(H2,23,24,25)/t12-,13+,16+,17+,20+/m0/s1
定義日:2024-04-12
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate
A1L0H
A1L0H
表記:[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate
組成式:C19 H22 Br N7 O7 S
SMILES:N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4ccccc4Br
InChi:InChI=1S/C19H22BrN7O7S/c20-10-4-2-1-3-9(10)11(21)5-13(28)26-35(31,32)33-6-12-15(29)16(30)19(34-12)27-8-25-14-17(22)23-7-24-18(14)27/h1-4,7-8,11-12,15-16,19,29-30H,5-6,21H2,(H,26,28)(H2,22,23,24)/t11-,12+,15+,16+,19+/m0/s1
定義日:2024-04-12
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate
A1LY4
A1LY4
表記:4-(1H-imidazol-5-ylmethyl)piperidine
組成式:C9 H15 N3
SMILES:C1CC(CCN1)Cc2[nH]cnc2
InChi:InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
定義日:2024-03-12
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:4-(1~{H}-imidazol-5-ylmethyl)piperidine
A1LYO
A1LYO
表記:(1^2Z,4^2Z,11^2Z,14^2Z,22^2Z,25^2Z,32^2Z,35^2Z,19R,40R)-1^1,4^1,11^1,14^1,22^1,25^1,32^1,35^1-octamethyl-2,5,9,12,15,20,23,26,30,33,36,41-dodecaoxo-1^1H,4^1H,11^1H,14^1H,22^1H,25^1H,32^1H,35^1H-3,6,10,13,16,21,24,27,31,34,37,42-dodecaaza-1(2,4),11,22,32(4,2)-tetraimidazola-4,14,25,35(4,2)-tetrapyrrolacyclodotetracontaphane-19,40-diaminium
組成式:C58 H70 N26 O12
SMILES:Cn1cc2NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)[CH](N)CCNC(=O)c6cc(NC(=O)c7nc(NC(=O)CCNC(=O)c8cc(NC(=O)c9nc(NC(=O)[CH](N)CCNC(=O)c1c2)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C
InChi:InChI=1S/C58H70N26O12/c1-77-21-29-17-35(77)51(89)61-13-9-33(59)49(87)75-41-27-83(7)47(73-41)57(95)67-31-19-38(80(4)23-31)54(92)64-16-12-44(86)70-40-26-82(6)46(72-40)56(94)66-30-18-36(78(2)22-30)52(90)62-14-10-34(60)50(88)76-42-28-84(8)48(74-42)58(96)68-32-20-37(79(3)24-32)53(91)63-15-11-43(85)69-39-25-81(5)45(71-39)55(93)65-29/h17-28,33-34H,9-16,59-60H2,1-8H3,(H,61,89)(H,62,90)(H,63,91)(H,64,92)(H,65,93)(H,66,94)(H,67,95)(H,68,96)(H,69,85)(H,70,86)(H,75,87)(H,76,88)/t33-,34-/m1/s1
定義日:2024-02-27
最終更新日:2024-05-31
公開日:2024-06-05
E2Y
E2Y
表記:(R)-2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyacetonitrile
組成式:C12 H13 N O3
SMILES:CC1(C)OCc2cc(ccc2O1)[CH](O)C#N
InChi:InChI=1S/C12H13NO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5,10,14H,7H2,1-2H3/t10-/m0/s1
別名:(R)-alpha-Hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-6-acetonitrile
定義日:2023-06-09
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:(2~{R})-2-(2,2-dimethyl-4~{H}-1,3-benzodioxin-6-yl)-2-oxidanyl-ethanenitrile
FIE
FIE
表記:(S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride
組成式:C24 H22 Cl F N4 O3 S
SMILES:O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2Cc3cccnc3C2)cc1Cl
InChi:InChI=1S/C24H22ClFN4O3S/c25-21-13-19(28-34(26,32)30-14-18-7-4-10-27-22(18)15-30)8-9-20(21)24(31)29-11-12-33-23(16-29)17-5-2-1-3-6-17/h1-10,13,23H,11-12,14-16H2/t23-,34-/m1/s1
定義日:2023-04-07
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:(S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride
FQ3
FQ3
表記:2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde
組成式:C11 H12 O3
SMILES:CC1(C)OCc2cc(C=O)ccc2O1
InChi:InChI=1S/C11H12O3/c1-11(2)13-7-9-5-8(6-12)3-4-10(9)14-11/h3-6H,7H2,1-2H3
別名:2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
定義日:2020-06-12
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:2,2-dimethyl-4~{H}-1,3-benzodioxine-6-carbaldehyde
FQ9
FQ9
表記:(2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde
組成式:C10 H10 O3
SMILES:C[CH]1OCc2cc(C=O)ccc2O1
InChi:InChI=1S/C10H10O3/c1-7-12-6-9-4-8(5-11)2-3-10(9)13-7/h2-5,7H,6H2,1H3/t7-/m0/s1
別名:(2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
定義日:2020-06-12
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:(2~{S})-2-methyl-4~{H}-1,3-benzodioxine-6-carbaldehyde
GFX
GFX
表記:methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical
組成式:C10 H17 N O3
SMILES:CC1(C)C(=CC(C)(C)N1O)C(=O)OC
InChi:InChI=1S/C10H17NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6,13H,1-5H3
定義日:2023-07-20
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate
Q2B
Q2B
表記:3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole
組成式:C20 H16 N2 O3
SMILES:[O-][N+](=O)C[CH](c1occc1)c2c([nH]c3ccccc23)c4ccccc4
InChi:InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2/t16-/m0/s1
定義日:2023-03-13
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:3-[(1~{S})-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole
Q2L
Q2L
表記:3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole
組成式:C23 H20 N2 O3
SMILES:COc1ccccc1[CH](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4
InChi:InChI=1S/C23H20N2O3/c1-28-21-14-8-6-11-17(21)19(15-25(26)27)22-18-12-5-7-13-20(18)24-23(22)16-9-3-2-4-10-16/h2-14,19,24H,15H2,1H3/t19-/m0/s1
定義日:2023-03-13
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:3-[(1~{R})-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole

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