[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O3/c32-26(18-34-27(33)23-16-15-20-11-7-8-14-22(20)28-23)29-25-17-24(19-9-3-1-4-10-19)30-31(25)21-12-5-2-6-13-21/h1-17H,18H2,(H,29,32)