1-(4-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(phenylmethyl)piperazine

Systemtic Name: 1-(4-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(4-chlorobenzo[b][1]benzoxepin-6-yl)piperazine CAS Name: 1-(4-chloro-6-benzo[b][1]benzoxepinyl)-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(4-chlorobenzo[b][1]benzoxepin-6-yl)piperazine Traditional Name: 1-benzyl-4-(4-chlorobenzo[b][1]benzoxepin-6-yl)piperazine Formula: C25H23ClN2O MolecularWeight: 402.91592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC4=C(C=CC=C4Cl)OC5=CC=CC=C53

InChI

InChI=1S/C25H23ClN2O/c26-22-10-6-12-25-21(22)17-23(20-9-4-5-11-24(20)29-25)28-15-13-27(14-16-28)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2