cyclohexyl-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclohexyl-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]methanone Openeye Name: cyclohexyl-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]methanone CAS Name: cyclohexyl-[4-(9-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: cyclohexyl-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]methanone Traditional Name: cyclohexyl-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]methanone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)C5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C26H31N3O3/c1-31-20-12-13-21-24(18-20)32-23-11-6-5-10-22(23)27-25(21)28-14-7-15-29(17-16-28)26(30)19-8-3-2-4-9-19/h5-6,10-13,18-19H,2-4,7-9,14-17H2,1H3