[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H18BrN3O3/c1-26(11-5-10-24)21(27)14-29-22(28)18-13-20(15-6-3-2-4-7-15)25-19-9-8-16(23)12-17(18)19/h2-4,6-9,12-13H,5,11,14H2,1H3