[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H17F2N3O3 MolecularWeight: 349.331986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H17F2N3O3/c18-12-6-3-7-13(19)16(12)17(24)25-10-15(23)21-14-8-9-20-22(14)11-4-1-2-5-11/h3,6-9,11H,1-2,4-5,10H2,(H,21,23)