Chem
J-GLOBAL ID：201007022648571105   Nikkaji number：J2.832.618A

1-[[1-(4-Methoxyphenyl)-5-(p-nitrophenyl)-1H-1,2,3-triazole-4-yl]carbonyl]-2-phenyl-8,8-dimethyl-5,6,7,7aα-tetrahydro-4H-3aβ,6β-methano-1H-indazole-3(2H)-one

(1S,5R,7R)-4-[1-(4-メトキシフェニル)-5-(4-ニトロフェニル)-1H-1,2,3-トリアゾール-4-カルボニル]-10,10-ジメチル-3-フェニル-3,4-ジアザトリシクロ[5.2.1.01,5]デカン-2-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H30N5[N+]O4[O-]
Molecular formula furigana： C32-H30-N6-O5
Molecular weight： 578.629
InChI： InChI=1S/C32H30N6O5/c1-31(2)21-17-18-32(31)26(19-21)37(36(30(32)40)23-7-5-4-6-8-23)29(39)27-28(20-9-11-24(12-10-20)38(41)42)35(34-33-27)22-13-15-25(43-3)16-14-22/h4-16,21,26H,17-19H2,1-3H3/t21-,26-,32+/m1/s1
InChI key： FHIREADCNPVOND-PALIENCWSA-N
SMILES： COc1ccc(cc1)n1nnc(C(=O)N2[C@@H]3C[C@H]4CC[C@]3(C(=O)N2c2ccccc2)C4(C)C)c1c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 1-[[1-(4-メトキシフェニル)-5-(p-ニトロフェニル)-1H-1,2,3-トリアゾール-4-イル]カルボニル]-2-フェニル-8,8-ジメチル-5,6,7,7aα-テトラヒドロ-4H-3aβ,6β-メタノ-1H-インダゾール-3(2H)-オン
  • (1S,5R,7R)-4-[1-(4-メトキシフェニル)-5-(4-ニトロフェニル)-1H-1,2,3-トリアゾール-4-カルボニル]-10,10-ジメチル-3-フェニル-3,4-ジアザトリシクロ[5.2.1.01,5]デカン-2-オン
  • (1S,5R,7R)-4-[1-(4-methoxyphenyl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl]-10,10-dimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
Other name (1)：
  • 1-[[1-(4-Methoxyphenyl)-5-(p-nitrophenyl)-1H-1,2,3-triazole-4-yl]carbonyl]-2-phenyl-8,8-dimethyl-5,6,7,7aα-tetrahydro-4H-3aβ,6β-methano-1H-indazole-3(2H)-one
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