[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-19-9-11-23-25(17-19)33-24-12-10-21(32-2)18-22(24)26(28-23)29-13-6-14-30(16-15-29)27(31)20-7-4-3-5-8-20/h3-5,7-12,17-18H,6,13-16H2,1-2H3