(phenylmethyl) 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(10-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=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

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