(6E)-8-chloranyl-6-(piperazin-1-ylmethylidene)-5H-benzo[b][1,4]benzoxazepine

Systemtic Name: (6E)-8-chloranyl-6-(piperazin-1-ylmethylidene)-5H-benzo[b][1,4]benzoxazepine Openeye Name: (6E)-8-chloro-6-(piperazin-1-ylmethylene)-5H-benzo[b][1,4]benzoxazepine CAS Name: (6E)-8-chloro-6-(1-piperazinylmethylidene)-5H-benzo[b][1,4]benzoxazepine IUPAC Name: (6E)-8-chloro-6-(piperazin-1-ylmethylidene)-5H-benzo[b][1,4]benzoxazepine Traditional Name: (6E)-8-chloro-6-(piperazinomethylene)-5H-benzo[b][1,4]benzoxazepine Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C=C2C3=C(C=CC(=C3)Cl)OC4=CC=CC=C4N2

Isomeric SMILES

C1CN(CCN1)/C=C/2\C3=C(C=CC(=C3)Cl)OC4=CC=CC=C4N2

InChI

InChI=1S/C18H18ClN3O/c19-13-5-6-17-14(11-13)16(12-22-9-7-20-8-10-22)21-15-3-1-2-4-18(15)23-17/h1-6,11-12,20-21H,7-10H2/b16-12+