4-[(3S)-5-(6-chloranyl-1-methyl-2-oxidanylidene-4-phenyl-quinolin-3-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-5-(6-chloranyl-1-methyl-2-oxidanylidene-4-phenyl-quinolin-3-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(6-chloro-1-methyl-2-oxo-4-phenyl-3-quinolyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(6-chloro-1-methyl-2-oxo-4-phenyl-3-quinolinyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(6-chloro-2-keto-1-methyl-4-phenyl-3-quinolyl)-5-(2-furyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C27H21ClN3O5- MolecularWeight: 502.92574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C3=NN(C(C3)C4=CC=CO4)C(=O)CCC(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C3=NN([C@@H](C3)C4=CC=CO4)C(=O)CCC(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H22ClN3O5/c1-30-20-10-9-17(28)14-18(20)25(16-6-3-2-4-7-16)26(27(30)35)19-15-21(22-8-5-13-36-22)31(29-19)23(32)11-12-24(33)34/h2-10,13-14,21H,11-12,15H2,1H3,(H,33,34)/p-1/t21-/m0/s1