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

Systemtic Name: (phenylmethyl) 4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylic acid benzyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c1-19-8-10-23-25(16-19)34-24-11-9-21(32-2)17-22(24)26(28-23)29-12-14-30(15-13-29)27(31)33-18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3