4-benzo[b][1,4]benzoxazepin-6-yl-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H26N4O3/c1-32-23-13-6-3-10-20(23)28-26(31)30-16-8-15-29(17-18-30)25-19-9-2-5-12-22(19)33-24-14-7-4-11-21(24)27-25/h2-7,9-14H,8,15-18H2,1H3,(H,28,31)