(phenylmethyl) 8-(trifluoromethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (phenylmethyl) 8-(trifluoromethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: benzyl 8-(trifluoromethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 8-(trifluoromethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-(trifluoromethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 8-(trifluoromethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid benzyl ester Formula: C18H17F3N2O2 MolecularWeight: 350.33499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(N1)C=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C(N1)C=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17F3N2O2/c19-18(20,21)15-7-6-14-11-23(9-8-22-16(14)10-15)17(24)25-12-13-4-2-1-3-5-13/h1-7,10,22H,8-9,11-12H2