2-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]cinchoninate Formula: C24H20N3O2- MolecularWeight: 382.4345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C24H21N3O2/c1-16-20(17(2)27(26-16)15-18-8-4-3-5-9-18)13-12-19-14-22(24(28)29)21-10-6-7-11-23(21)25-19/h3-14H,15H2,1-2H3,(H,28,29)/p-1/b13-12+