(4Z)-4-[[(5-chloranylquinolin-8-yl)amino]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Systemtic Name: (4Z)-4-[[(5-chloranylquinolin-8-yl)amino]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Openeye Name: (4Z)-4-[[(5-chloro-8-quinolyl)amino]methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: (4Z)-4-[[(5-chloro-8-quinolinyl)amino]methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: (4Z)-4-[[(5-chloroquinolin-8-yl)amino]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: (4Z)-4-[[(5-chloro-8-quinolyl)amino]methylene]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C4C(=C(C=C3)Cl)C=CC=N4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=C4C(=C(C=C3)Cl)C=CC=N4)/C(=N2)C

InChI

InChI=1S/C21H17ClN4O/c1-13-5-7-15(8-6-13)26-21(27)17(14(2)25-26)12-24-19-10-9-18(22)16-4-3-11-23-20(16)19/h3-12,24H,1-2H3/b17-12-