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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(2-phenylethanoyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-phenylacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(1-oxo-2-phenylethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-phenylacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-phenylacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C29H27N5O MolecularWeight: 461.55758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O/c30-16-24-11-12-28-25(13-24)18-34(29(35)15-23-9-5-2-6-10-23)27(14-22-7-3-1-4-8-22)20-33(28)19-26-17-31-21-32-26/h1-13,17,21,27H,14-15,18-20H2,(H,31,32)