3-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]-5H-1-benzazepine

Systemtic Name: 3-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]-5H-1-benzazepine Openeye Name: 2-(4-benzylpiperazin-1-yl)-3-phenyl-5H-1-benzazepine CAS Name: 3-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]-5H-1-benzazepine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-3-phenyl-5H-1-benzazepine Traditional Name: 2-(4-benzylpiperazino)-3-phenyl-5H-1-benzazepine Formula: C27H27N3 MolecularWeight: 393.52338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4CC=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4CC=C3C5=CC=CC=C5

InChI

InChI=1S/C27H27N3/c1-3-9-22(10-4-1)21-29-17-19-30(20-18-29)27-25(23-11-5-2-6-12-23)16-15-24-13-7-8-14-26(24)28-27/h1-14,16H,15,17-21H2