(phenylmethyl) 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxylate Openeye Name: benzyl 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxylate CAS Name: 4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazine-1-carboxylate Traditional Name: 4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

Isomeric SMILES

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

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