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

Systemtic Name: (phenylmethyl) 4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazine-1-carboxylate Openeye Name: benzyl 4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazine-1-carboxylate CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazine-1-carboxylate Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H25N3O3/c1-19-17-28(15-16-29(19)26(30)31-18-20-9-3-2-4-10-20)25-21-11-5-7-13-23(21)32-24-14-8-6-12-22(24)27-25/h2-14,19H,15-18H2,1H3