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

Systemtic Name: 3-(4-fluorophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-5H-1-benzazepine Openeye Name: 2-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-5H-1-benzazepine CAS Name: 3-(4-fluorophenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-5H-1-benzazepine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-5H-1-benzazepine Traditional Name: 2-(4-benzylpiperazino)-3-(4-fluorophenyl)-5H-1-benzazepine Formula: C27H26FN3 MolecularWeight: 411.513843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3/c28-24-13-10-22(11-14-24)25-15-12-23-8-4-5-9-26(23)29-27(25)31-18-16-30(17-19-31)20-21-6-2-1-3-7-21/h1-11,13-15H,12,16-20H2