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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(4-methoxyphenyl)sulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(4-methoxyphenyl)sulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(4-methoxyphenyl)sulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C30H28N4O3S MolecularWeight: 524.63332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C30H28N4O3S/c1-37-28-10-12-29(13-11-28)38(35,36)34-21-26-16-24(18-31)9-14-30(26)33(20-25-8-5-15-32-19-25)22-27(34)17-23-6-3-2-4-7-23/h2-16,19,27H,17,20-22H2,1H3