2-(1,3-dimethylpyrazol-4-yl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-6,8-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-6,8-dimethyl-cinchoninate Formula: C17H16N3O2- MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN(N=C3C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN(N=C3C)C)C(=O)[O-])C

InChI

InChI=1S/C17H17N3O2/c1-9-5-10(2)16-12(6-9)13(17(21)22)7-15(18-16)14-8-20(4)19-11(14)3/h5-8H,1-4H3,(H,21,22)/p-1