1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile

Systemtic Name: 1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile Openeye Name: 1-benzyl-4-(benzylamino)-4,5-dihydroazepine-3-carbonitrile CAS Name: 1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile IUPAC Name: 1-benzyl-4-(benzylamino)-4,5-dihydroazepine-3-carbonitrile Traditional Name: 1-benzyl-4-(benzylamino)-4,5-dihydroazepine-3-carbonitrile Formula: C21H21N3 MolecularWeight: 315.41154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C=C(C1NCC2=CC=CC=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C=CN(C=C(C1NCC2=CC=CC=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3/c22-14-20-17-24(16-19-10-5-2-6-11-19)13-7-12-21(20)23-15-18-8-3-1-4-9-18/h1-11,13,17,21,23H,12,15-16H2