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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

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