4-[5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(3,4-dimethoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(3,4-dimethoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3,4-dimethoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3,4-dimethoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3,4-dimethoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[3-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C30H25ClN3O6- MolecularWeight: 558.989

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H26ClN3O6/c1-39-24-11-8-18(14-25(24)40-2)23-16-22(33-34(23)26(35)12-13-27(36)37)29-28(17-6-4-3-5-7-17)20-15-19(31)9-10-21(20)32-30(29)38/h3-11,14-16,23,33H,12-13H2,1-2H3,(H,32,38)(H,36,37)/p-1