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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

InChI

InChI=1S/C26H31N3O2/c1-18-12-13-22-24(16-18)31-23-11-7-6-10-21(23)25(27-22)28-14-15-29(19(2)17-28)26(30)20-8-4-3-5-9-20/h6-7,10-13,16,19-20H,3-5,8-9,14-15,17H2,1-2H3