3-[(4-cyanophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-[(4-cyanophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-[(4-cyanophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-3-[(4-cyanophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-[(4-cyanophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 4-besyl-3-(4-cyanobenzyl)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C28H24N6O2S MolecularWeight: 508.59416

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H24N6O2S/c29-14-22-8-6-21(7-9-22)13-26-19-33(18-25-16-31-20-32-25)28-11-10-23(15-30)12-24(28)17-34(26)37(35,36)27-4-2-1-3-5-27/h1-12,16,20,26H,13,17-19H2,(H,31,32)