1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C25H31N3O3/c1-17(2)14-24(29)27-10-5-11-28(13-12-27)25-20-8-7-19(30-4)16-22(20)31-23-15-18(3)6-9-21(23)26-25/h6-9,15-17H,5,10-14H2,1-4H3