[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N4O3/c25-19(23-18-11-12-21-24(18)15-6-2-3-7-15)13-27-20(26)17-10-9-14-5-1-4-8-16(14)22-17/h1,4-5,8-12,15H,2-3,6-7,13H2,(H,23,25)