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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(2-pyridin-2-ylethanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-[2-(2-pyridyl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-2-ylacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-[2-(2-pyridyl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C28H26N6O MolecularWeight: 462.54564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C(=O)CC4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C(=O)CC4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N6O/c29-15-22-9-10-27-23(12-22)17-34(28(35)14-24-8-4-5-11-31-24)26(13-21-6-2-1-3-7-21)19-33(27)18-25-16-30-20-32-25/h1-12,16,20,26H,13-14,17-19H2,(H,30,32)