[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O3/c1-15-13-16(2)26(25-15)20-10-9-19(14-24-20)22(28)29-17(3)21(27)23-12-11-18-7-5-4-6-8-18/h4-10,13-14,17H,11-12H2,1-3H3,(H,23,27)