Chem
J-GLOBAL ID：201107014257356050   Nikkaji number：J2.954.029B

N,N-Diethylcarbamic acid 4-[[(3R)-7-cyano-1-(1-methyl-1H-imidazole-5-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3β-yl]methyl]phenyl ester

4-{[(3R)-7-シアノ-4-(4-メトキシベンゼンスルホニル)-1-[(1-メチル-1H-イミダゾール-5-イル)メチル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]メチル}フェニル N,N-ジエチルカルバマート
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： C34H38N6O5S
Molecular formula furigana： C34-H38-N6-O5-S
Molecular weight： 642.780
InChI： InChI=1S/C34H38N6O5S/c1-5-38(6-2)34(41)45-31-10-7-25(8-11-31)18-28-22-39(23-29-20-36-24-37(29)3)33-16-9-26(19-35)17-27(33)21-40(28)46(42,43)32-14-12-30(44-4)13-15-32/h7-17,20,24,28H,5-6,18,21-23H2,1-4H3/t28-/m1/s1
InChI key： IQZAPWUUBMPSLO-MUUNZHRXSA-N
SMILES： CCN(CC)C(=O)Oc1ccc(C[C@@H]2CN(Cc3cncn3C)c3ccc(cc3CN2S(=O)(=O)c2ccc(OC)cc2)C#N)cc1
Systematic name  (3)：
  • N,N-ジエチルカルバミド酸4-[[(3R)-7-シアノ-1-(1-メチル-1H-イミダゾール-5-イルメチル)-4-[(4-メトキシフェニル)スルホニル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-3β-イル]メチル]フェニル
  • 4-{[(3R)-7-シアノ-4-(4-メトキシベンゼンスルホニル)-1-[(1-メチル-1H-イミダゾール-5-イル)メチル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]メチル}フェニル N,N-ジエチルカルバマート
  • 4-{[(3R)-7-cyano-4-(4-methoxybenzenesulfonyl)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]methyl}phenyl N,N-diethylcarbamate
Other name (1)：
  • N,N-Diethylcarbamic acid 4-[[(3R)-7-cyano-1-(1-methyl-1H-imidazole-5-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3β-yl]methyl]phenyl ester
Thsaurus map：
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