4-(2-phenylethanoyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(2-phenylethanoyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(2-phenylacetyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(1-oxo-2-phenylethyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(2-phenylacetyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(2-phenylacetyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C25H23N3O MolecularWeight: 381.46962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)C(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)C(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O/c26-16-21-11-12-24-22(13-21)18-28(25(29)15-20-9-5-2-6-10-20)23(17-27-24)14-19-7-3-1-4-8-19/h1-13,23,27H,14-15,17-18H2