(phenylmethyl) 7-bromanyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (phenylmethyl) 7-bromanyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: benzyl 7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid benzyl ester Formula: C17H17BrN2O2 MolecularWeight: 361.23308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O2/c18-15-6-7-16-14(10-15)11-20(9-8-19-16)17(21)22-12-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2