4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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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)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c1-19-9-11-23-25(17-19)34-24-12-10-21(33-2)18-22(24)26(29-23)30-13-6-14-31(16-15-30)27(32)28-20-7-4-3-5-8-20/h3-5,7-12,17-18H,6,13-16H2,1-2H3,(H,28,32)