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

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

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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=CC=CC=C42

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=NC3=C(C=C(C=C3)C)OC4=CC=CC=C42

InChI

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