6-chloranyl-2-(4-methylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylate

Systemtic Name: 6-chloranyl-2-(4-methylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylate Openeye Name: 6-chloro-2-(p-tolyl)-3-pyrazol-1-yl-quinoline-4-carboxylate CAS Name: 6-chloro-2-(4-methylphenyl)-3-(1-pyrazolyl)-4-quinolinecarboxylate IUPAC Name: 6-chloro-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylate Traditional Name: 6-chloro-2-(p-tolyl)-3-pyrazol-1-yl-cinchoninate Formula: C20H13ClN3O2- MolecularWeight: 362.78912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Cl)C(=O)[O-])N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Cl)C(=O)[O-])N4C=CC=N4

InChI

InChI=1S/C20H14ClN3O2/c1-12-3-5-13(6-4-12)18-19(24-10-2-9-22-24)17(20(25)26)15-11-14(21)7-8-16(15)23-18/h2-11H,1H3,(H,25,26)/p-1