8-methyl-5-(phenylmethyl)-10-piperidin-4-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride

Systemtic Name: 8-methyl-5-(phenylmethyl)-10-piperidin-4-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride Openeye Name: 5-benzyl-8-methyl-10-(4-piperidyl)benzo[b][1,4]benzoxazepin-6-one hydrochloride CAS Name: 8-methyl-5-(phenylmethyl)-10-(4-piperidinyl)-6-benzo[b][1,4]benzoxazepinone hydrochloride IUPAC Name: 5-benzyl-8-methyl-10-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one hydrochloride Traditional Name: 5-benzyl-8-methyl-10-(4-piperidyl)benzo[b][1,4]benzoxazepin-6-one hydrochloride Formula: C26H27ClN2O2 MolecularWeight: 434.95778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)N(C3=CC=CC=C3O2)CC4=CC=CC=C4)C5CCNCC5.Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)N(C3=CC=CC=C3O2)CC4=CC=CC=C4)C5CCNCC5.Cl

InChI

InChI=1S/C26H26N2O2.ClH/c1-18-15-21(20-11-13-27-14-12-20)25-22(16-18)26(29)28(17-19-7-3-2-4-8-19)23-9-5-6-10-24(23)30-25;/h2-10,15-16,20,27H,11-14,17H2,1H3;1H