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

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

CC1CN(CCN1C(=O)CC(C)C)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)C

InChI

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