[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C31H27ClN4O3 MolecularWeight: 539.02408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H27ClN4O3/c1-31(2,3)27-18-28(36(35-27)20-11-5-4-6-12-20)34-29(37)19-39-30(38)23-17-26(22-14-7-9-15-24(22)32)33-25-16-10-8-13-21(23)25/h4-18H,19H2,1-3H3,(H,34,37)