methyl 3-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-4-fluoro-benzoate CAS Name: 3-[[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-4-fluorobenzoate Traditional Name: 3-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C17H19ClFN3O3 MolecularWeight: 367.802463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)Cl

InChI

InChI=1S/C17H19ClFN3O3/c1-4-5-8-22-15(18)14(10(2)21-22)16(23)20-13-9-11(17(24)25-3)6-7-12(13)19/h6-7,9H,4-5,8H2,1-3H3,(H,20,23)