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

Systemtic Name: 2-[(E)-2-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]cinchoninic acid Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=CC4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/C4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C27H20N4O2/c32-27(33)24-15-22(29-25-11-5-4-10-23(24)25)13-12-21-18-31(17-19-7-2-1-3-8-19)30-26(21)20-9-6-14-28-16-20/h1-16,18H,17H2,(H,32,33)/b13-12+