[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H15ClN4O3 MolecularWeight: 418.8325

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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=NC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4O3/c23-15-5-6-20(25-12-15)27-21(28)13-30-22(29)17-11-19(14-7-9-24-10-8-14)26-18-4-2-1-3-16(17)18/h1-12H,13H2,(H,25,27,28)