(phenylmethyl) 4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylic acid benzyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c1-19-11-12-22-24(17-19)32-23-10-6-5-9-21(23)25(27-22)28-13-15-29(16-14-28)26(30)31-18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3