(phenylmethyl) 4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c1-20-9-12-24-26(17-20)35-25-18-22(33-2)10-11-23(25)27(29-24)30-13-6-14-31(16-15-30)28(32)34-19-21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16,19H2,1-2H3