cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]methanone

Systemtic Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]methanone Openeye Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]methanone CAS Name: cyclohexyl-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]methanone IUPAC Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]methanone Traditional Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]methanone Formula: C27H33N3O2 MolecularWeight: 431.56982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C27H33N3O2/c1-18-10-12-24-22(15-18)26(28-23-11-9-19(2)16-25(23)32-24)29-13-14-30(20(3)17-29)27(31)21-7-5-4-6-8-21/h9-12,15-16,20-21H,4-8,13-14,17H2,1-3H3