(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-(2-methoxyphenyl)methanone

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-(2-methoxyphenyl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-(2-methoxyphenyl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-(2-methoxyphenyl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-(2-methoxyphenyl)methanone Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H25N3O3/c1-31-22-12-5-3-10-20(22)26(30)29-16-8-15-28(17-18-29)25-19-9-2-6-13-23(19)32-24-14-7-4-11-21(24)27-25/h2-7,9-14H,8,15-18H2,1H3