(phenylmethyl) 4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carboxylate Openeye Name: benzyl 4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carboxylate CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carboxylate Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-ylpiperazine-1-carboxylic acid benzyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3/c29-25(30-18-19-8-2-1-3-9-19)28-16-14-27(15-17-28)24-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)26-24/h1-13H,14-18H2