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

Systemtic Name: 3-chloranyl-5-(phenylmethyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-benzyl-3-chloro-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-chloro-5-(phenylmethyl)-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-benzyl-3-chloro-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-benzyl-3-chloro-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=C(C=C(C=C4)Cl)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=C(C=C(C=C4)Cl)N(C3=O)CC5=CC=CC=C5

InChI

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