1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]-3,3-dimethyl-butan-1-one Formula: C24H29N3O3 MolecularWeight: 407.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OC

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OC

InChI

InChI=1S/C24H29N3O3/c1-24(2,3)16-22(28)26-11-13-27(14-12-26)23-18-15-17(29-4)9-10-20(18)30-21-8-6-5-7-19(21)25-23/h5-10,15H,11-14,16H2,1-4H3