[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C24H16N4O3 MolecularWeight: 408.40884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H16N4O3/c25-14-16-4-3-5-18(12-16)27-23(29)15-31-24(30)20-13-22(17-8-10-26-11-9-17)28-21-7-2-1-6-19(20)21/h1-13H,15H2,(H,27,29)