4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-methyl-quinoline-7-carboxylate

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-methyl-quinoline-7-carboxylate Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-methyl-quinoline-7-carboxylate CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-methyl-7-quinolinecarboxylate IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-methylquinoline-7-carboxylate Traditional Name: 4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-2-methyl-quinoline-7-carboxylate Formula: C22H19N4O3- MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)[O-])C(=C1)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)[O-])C(=C1)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H20N4O3/c1-13-11-18(17-10-9-15(22(28)29)12-19(17)23-13)24-20-14(2)25(3)26(21(20)27)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,23,24)(H,28,29)/p-1