2-[(E)-2-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]vinyl]cinchoninic acid Formula: C24H18N4O2 MolecularWeight: 394.42532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O)CCC#N

InChI

InChI=1S/C24H18N4O2/c25-13-6-14-28-16-18(23(27-28)17-7-2-1-3-8-17)11-12-19-15-21(24(29)30)20-9-4-5-10-22(20)26-19/h1-5,7-12,15-16H,6,14H2,(H,29,30)/b12-11+