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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-pyridin-3-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(3-pyridylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(3-pyridinylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-pyridin-3-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(3-pyridylsulfonyl)-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=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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