methyl 2-(3-methylimidazol-4-yl)-6-(2-pyridin-3-ylethynyl)quinoline-4-carboxylate

Systemtic Name: methyl 2-(3-methylimidazol-4-yl)-6-(2-pyridin-3-ylethynyl)quinoline-4-carboxylate Openeye Name: methyl 2-(3-methylimidazol-4-yl)-6-[2-(3-pyridyl)ethynyl]quinoline-4-carboxylate CAS Name: 2-(3-methyl-4-imidazolyl)-6-[2-(3-pyridinyl)ethynyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylimidazol-4-yl)-6-(2-pyridin-3-ylethynyl)quinoline-4-carboxylate Traditional Name: 2-(3-methylimidazol-4-yl)-6-[2-(3-pyridyl)ethynyl]cinchoninic acid methyl ester Formula: C22H16N4O2 MolecularWeight: 368.38804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=C(C=C(C=C3)C#CC4=CN=CC=C4)C(=C2)C(=O)OC

Isomeric SMILES

CN1C=NC=C1C2=NC3=C(C=C(C=C3)C#CC4=CN=CC=C4)C(=C2)C(=O)OC

InChI

InChI=1S/C22H16N4O2/c1-26-14-24-13-21(26)20-11-18(22(27)28-2)17-10-15(7-8-19(17)25-20)5-6-16-4-3-9-23-12-16/h3-4,7-14H,1-2H3