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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-[(3-chlorophenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(3-chlorophenyl)methyl]-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(3-chlorophenyl)methyl]-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-(3-chlorobenzyl)-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C24H22ClN3O2 MolecularWeight: 419.90338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H22ClN3O2/c25-18-6-3-5-17(15-18)16-28-20-8-1-2-10-22(20)30-23-19(24(28)29)7-4-9-21(23)27-13-11-26-12-14-27/h1-10,15,26H,11-14,16H2