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

Systemtic Name: 3,3-dimethyl-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]butan-1-one Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)CC(C)(C)C

InChI

InChI=1S/C24H29N3O2/c1-17-9-10-19-21(15-17)29-20-8-6-5-7-18(20)23(25-19)27-13-11-26(12-14-27)22(28)16-24(2,3)4/h5-10,15H,11-14,16H2,1-4H3