2-(3,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylate

Systemtic Name: 2-(3,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylate Openeye Name: 2-(3,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-3-(3,5-dimethyl-1-pyrazolyl)-4-quinolinecarboxylate IUPAC Name: 2-(3,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)cinchoninate Formula: C23H20N3O2- MolecularWeight: 370.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4C(=CC(=N4)C)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4C(=CC(=N4)C)C)C(=O)[O-])C

InChI

InChI=1S/C23H21N3O2/c1-13-9-10-17(11-14(13)2)21-22(26-16(4)12-15(3)25-26)20(23(27)28)18-7-5-6-8-19(18)24-21/h5-12H,1-4H3,(H,27,28)/p-1