methyl 3-[[(3-fluorophenyl)carbonylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[[(3-fluorophenyl)carbonylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[[(3-fluorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[(3-fluorophenyl)-oxomethyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-fluorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[[(3-fluorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H19FN4O4/c1-30-21(29)16-8-14(12-23-20(28)15-4-2-5-17(22)10-15)9-18(11-16)25-19(27)13-26-7-3-6-24-26/h2-11H,12-13H2,1H3,(H,23,28)(H,25,27)