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

Systemtic Name: 3-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C24H29N3O2/c1-17(2)15-23(28)26-11-6-12-27(14-13-26)24-19-16-18(3)9-10-21(19)29-22-8-5-4-7-20(22)25-24/h4-5,7-10,16-17H,6,11-15H2,1-3H3