4-(3,4-dimethoxyphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5)OC

InChI

InChI=1S/C29H29N5O4S/c1-37-28-11-9-26(14-29(28)38-2)39(35,36)34-17-23-12-22(15-30)8-10-27(23)33(18-24-16-31-20-32-24)19-25(34)13-21-6-4-3-5-7-21/h3-12,14,16,20,25H,13,17-19H2,1-2H3,(H,31,32)