5-(3-phenylpropyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride

Systemtic Name: 5-(3-phenylpropyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride Openeye Name: 5-(3-phenylpropyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride CAS Name: 5-(3-phenylpropyl)-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone hydrochloride IUPAC Name: 5-(3-phenylpropyl)-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one hydrochloride Traditional Name: 5-(3-phenylpropyl)-10-piperazino-benzo[b][1,4]benzoxazepin-6-one hydrochloride Formula: C26H28ClN3O2 MolecularWeight: 449.97242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CCCC5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CCCC5=CC=CC=C5.Cl

InChI

InChI=1S/C26H27N3O2.ClH/c30-26-21-11-6-13-23(28-18-15-27-16-19-28)25(21)31-24-14-5-4-12-22(24)29(26)17-7-10-20-8-2-1-3-9-20;/h1-6,8-9,11-14,27H,7,10,15-19H2;1H