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

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(4-isopropylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-p-cumenyl-1,4-diazepane-1-carboxamide Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C28H30N4O2/c1-20(2)21-12-14-22(15-13-21)29-28(33)32-17-7-16-31(18-19-32)27-23-8-3-5-10-25(23)34-26-11-6-4-9-24(26)30-27/h3-6,8-15,20H,7,16-19H2,1-2H3,(H,29,33)