7-bromanyl-3-phenyl-2-(4-phenylpiperazin-1-yl)-5H-1-benzazepine

Systemtic Name: 7-bromanyl-3-phenyl-2-(4-phenylpiperazin-1-yl)-5H-1-benzazepine Openeye Name: 7-bromo-3-phenyl-2-(4-phenylpiperazin-1-yl)-5H-1-benzazepine CAS Name: 7-bromo-3-phenyl-2-(4-phenyl-1-piperazinyl)-5H-1-benzazepine IUPAC Name: 7-bromo-3-phenyl-2-(4-phenylpiperazin-1-yl)-5H-1-benzazepine Traditional Name: 7-bromo-3-phenyl-2-(4-phenylpiperazino)-5H-1-benzazepine Formula: C26H24BrN3 MolecularWeight: 458.39286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(CC=C3C5=CC=CC=C5)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(CC=C3C5=CC=CC=C5)C=C(C=C4)Br

InChI

InChI=1S/C26H24BrN3/c27-22-12-14-25-21(19-22)11-13-24(20-7-3-1-4-8-20)26(28-25)30-17-15-29(16-18-30)23-9-5-2-6-10-23/h1-10,12-14,19H,11,15-18H2