(phenylmethyl) 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylic acid benzyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-19-9-11-24-22(16-19)26(28-23-10-8-20(2)17-25(23)33-24)29-12-14-30(15-13-29)27(31)32-18-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3