[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H21FN4O3/c1-13-10-14(2)26(25-13)19-9-6-17(12-23-19)21(28)29-15(3)20(27)24-11-16-4-7-18(22)8-5-16/h4-10,12,15H,11H2,1-3H3,(H,24,27)