1-(1H-imidazol-5-ylmethyl)-4-(phenylsulfonyl)-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(phenylsulfonyl)-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 4-besyl-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H24N6O2S MolecularWeight: 484.57276

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H24N6O2S/c27-13-20-8-9-26-22(11-20)16-32(35(33,34)25-6-2-1-3-7-25)24(12-21-5-4-10-28-14-21)18-31(26)17-23-15-29-19-30-23/h1-11,14-15,19,24H,12,16-18H2,(H,29,30)