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

Systemtic Name: 7-chloranyl-3-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]-5H-1-benzazepine Openeye Name: 2-(4-benzylpiperazin-1-yl)-7-chloro-3-phenyl-5H-1-benzazepine CAS Name: 7-chloro-3-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]-5H-1-benzazepine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-7-chloro-3-phenyl-5H-1-benzazepine Traditional Name: 2-(4-benzylpiperazino)-7-chloro-3-phenyl-5H-1-benzazepine Formula: C27H26ClN3 MolecularWeight: 427.96844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(CC=C3C5=CC=CC=C5)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(CC=C3C5=CC=CC=C5)C=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN3/c28-24-12-14-26-23(19-24)11-13-25(22-9-5-2-6-10-22)27(29-26)31-17-15-30(16-18-31)20-21-7-3-1-4-8-21/h1-10,12-14,19H,11,15-18,20H2