(phenylmethyl) 4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(9-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c1-32-21-12-13-22-25(18-21)34-24-11-6-5-10-23(24)28-26(22)29-14-7-15-30(17-16-29)27(31)33-19-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17,19H2,1H3