7-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-8-methyl-quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 7-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-8-methyl-quinoline-3-carboxylic acid hydrochloride Openeye Name: 7-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-8-methyl-quinoline-3-carboxylic acid hydrochloride CAS Name: 7-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-8-methyl-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 7-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-8-methylquinoline-3-carboxylic acid hydrochloride Traditional Name: 7-chloro-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-8-methyl-quinoline-3-carboxylic acid hydrochloride Formula: C22H20Cl2N4O3 MolecularWeight: 459.3252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=CN=C12)C(=O)O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Cl.Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=CN=C12)C(=O)O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Cl.Cl

InChI

InChI=1S/C22H19ClN4O3.ClH/c1-12-17(23)10-9-15-18(12)24-11-16(22(29)30)20(15)25-19-13(2)26(3)27(21(19)28)14-7-5-4-6-8-14;/h4-11H,1-3H3,(H,24,25)(H,29,30);1H