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

Systemtic Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone Openeye Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone CAS Name: cyclohexyl-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methanone IUPAC Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone Traditional Name: cyclohexyl-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]methanone Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C26H31N3O2/c1-18-9-11-23-21(16-18)25(27-22-10-8-19(2)17-24(22)31-23)28-12-14-29(15-13-28)26(30)20-6-4-3-5-7-20/h8-11,16-17,20H,3-7,12-15H2,1-2H3