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

Systemtic Name: 5-[(3-methylphenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-(m-tolylmethyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(3-methylphenyl)methyl]-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(3-methylphenyl)methyl]-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-(3-methylbenzyl)-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC=C4N5CCNCC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC=C4N5CCNCC5

InChI

InChI=1S/C25H25N3O2/c1-18-6-4-7-19(16-18)17-28-21-9-2-3-11-23(21)30-24-20(25(28)29)8-5-10-22(24)27-14-12-26-13-15-27/h2-11,16,26H,12-15,17H2,1H3