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

Systemtic Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazino]-3-methyl-butan-1-one Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C24H29N3O3/c1-16(2)13-23(28)26-9-11-27(12-10-26)24-19-15-18(29-4)6-8-21(19)30-22-14-17(3)5-7-20(22)25-24/h5-8,14-16H,9-13H2,1-4H3