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

Systemtic Name: 2-[(E)-2-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)vinyl]cinchoninic acid Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)Cl)CC(C)C

InChI

InChI=1S/C20H20ClN3O2/c1-12(2)11-24-19(21)15(13(3)23-24)9-8-14-10-17(20(25)26)16-6-4-5-7-18(16)22-14/h4-10,12H,11H2,1-3H3,(H,25,26)/b9-8+