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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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