4-[(3S)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-chloro-8-methyl-3-quinolyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-chloro-8-methyl-3-quinolinyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-chloro-8-methylquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-chloro-8-methyl-3-quinolyl)-3-(2-furyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H17ClN3O4- MolecularWeight: 410.83038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=CO4

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)[C@@H]3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H18ClN3O4/c1-12-4-2-5-13-10-14(21(22)23-20(12)13)16-11-15(17-6-3-9-29-17)24-25(16)18(26)7-8-19(27)28/h2-6,9-10,16H,7-8,11H2,1H3,(H,27,28)/p-1/t16-/m0/s1