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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

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