2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]quinoline-4-carboxylic acid Openeye Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]quinoline-4-carboxylic acid CAS Name: 2-[1-(1,3-dimethyl-4-pyrazolyl)ethylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]quinoline-4-carboxylic acid Traditional Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]cinchoninic acid Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC2=NC3=CC=CC=C3C(=C2)C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1C(C)NC2=NC3=CC=CC=C3C(=C2)C(=O)O)C

InChI

InChI=1S/C17H18N4O2/c1-10(14-9-21(3)20-11(14)2)18-16-8-13(17(22)23)12-6-4-5-7-15(12)19-16/h4-10H,1-3H3,(H,18,19)(H,22,23)