4-[5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-pyridin-3-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-pyridin-3-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-pyridyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-pyridinyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-pyridin-3-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(3-pyridyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C27H21ClN4O4 MolecularWeight: 500.93304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=CC(N(N4)C(=O)CCC(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=CC(N(N4)C(=O)CCC(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C27H21ClN4O4/c28-18-8-9-20-19(13-18)25(16-5-2-1-3-6-16)26(27(36)30-20)21-14-22(17-7-4-12-29-15-17)32(31-21)23(33)10-11-24(34)35/h1-9,12-15,22,31H,10-11H2,(H,30,36)(H,34,35)