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

Systemtic Name: (phenylmethyl) 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxylate Openeye Name: benzyl 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxylate CAS Name: 4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazine-1-carboxylate Traditional Name: 4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C28H29N3O3/c1-19-10-12-25-23(15-19)27(29-24-11-9-20(2)16-26(24)34-25)30-13-14-31(21(3)17-30)28(32)33-18-22-7-5-4-6-8-22/h4-12,15-16,21H,13-14,17-18H2,1-3H3