1-(5-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(phenylmethyl)piperazine

Systemtic Name: 1-(5-chloranylbenzo[b][1]benzoxepin-6-yl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(5-chlorobenzo[b][1]benzoxepin-6-yl)piperazine CAS Name: 1-(5-chloro-6-benzo[b][1]benzoxepinyl)-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(5-chlorobenzo[b][1]benzoxepin-6-yl)piperazine Traditional Name: 1-benzyl-4-(5-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=C(C4=CC=CC=C4OC5=CC=CC=C53)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C4=CC=CC=C4OC5=CC=CC=C53)Cl

InChI

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