2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylate

Systemtic Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylate Openeye Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylate CAS Name: 2-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-quinolinecarboxylate IUPAC Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylate Traditional Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]cinchoninate Formula: C16H14N3O2- MolecularWeight: 280.30126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C

InChI

InChI=1S/C16H15N3O2/c1-10-7-11(2)19(18-10)9-12-8-14(16(20)21)13-5-3-4-6-15(13)17-12/h3-8H,9H2,1-2H3,(H,20,21)/p-1