1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-3-methyl-butan-1-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)C)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

InChI

InChI=1S/C25H31N3O2/c1-16(2)12-24(29)28-11-10-27(15-19(28)5)25-20-13-17(3)7-9-22(20)30-23-14-18(4)6-8-21(23)26-25/h6-9,13-14,16,19H,10-12,15H2,1-5H3