4-[(3S)-3-(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-5-(2-keto-7-methyl-1H-quinolin-3-yl)-3-phenyl-3-pyrazolin-1-yl]butyrate Formula: C23H20N3O4- MolecularWeight: 402.4226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)C3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)[C@@H]3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4/c1-14-7-8-16-12-17(23(30)24-18(16)11-14)20-13-19(15-5-3-2-4-6-15)25-26(20)21(27)9-10-22(28)29/h2-8,11-13,20,25H,9-10H2,1H3,(H,24,30)(H,28,29)/p-1/t20-/m0/s1