2-[2-[5-chloranyl-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[2-[5-chloranyl-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-[5-chloro-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-[5-chloro-1-(3-chlorophenyl)-3-methyl-4-pyrazolyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-[5-chloro-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]vinyl]cinchoninic acid Formula: C22H15Cl2N3O2 MolecularWeight: 424.2794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)Cl)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C(=C1C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)Cl)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H15Cl2N3O2/c1-13-17(21(24)27(26-13)16-6-4-5-14(23)11-16)10-9-15-12-19(22(28)29)18-7-2-3-8-20(18)25-15/h2-12H,1H3,(H,28,29)