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

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

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

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