1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-32-24-14-7-11-21-26(24)33-23-13-6-5-12-22(23)28-27(21)30-16-8-15-29(17-18-30)25(31)19-20-9-3-2-4-10-20/h2-7,9-14H,8,15-19H2,1H3