2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-cinchoninic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(N(N=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(N(N=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H19N3O3/c1-13-4-9-20-17(10-13)18(22(26)27)11-21(24-20)19-12-23-25(14(19)2)15-5-7-16(28-3)8-6-15/h4-12H,1-3H3,(H,26,27)