3-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 3-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylpiperazin-1-yl)-3-chloro-benzo[b][1,4]benzoxazepine CAS Name: 3-chloro-6-[4-(phenylmethyl)-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-3-chlorobenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylpiperazino)-3-chloro-benzo[b][1,4]benzoxazepine Formula: C24H22ClN3O MolecularWeight: 403.90398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C53

InChI

InChI=1S/C24H22ClN3O/c25-19-10-11-23-21(16-19)26-24(20-8-4-5-9-22(20)29-23)28-14-12-27(13-15-28)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2