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

Systemtic Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-3,3-dimethyl-butan-1-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-17-7-9-21-23(13-17)32-22-10-8-19(31-6)14-20(22)25(27-21)28-11-12-29(18(2)16-28)24(30)15-26(3,4)5/h7-10,13-14,18H,11-12,15-16H2,1-6H3