methyl 3-(propanoylamino)-5-[[(3-pyrazol-1-ylphenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(propanoylamino)-5-[[(3-pyrazol-1-ylphenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(propanoylamino)-5-[[(3-pyrazol-1-ylbenzoyl)amino]methyl]benzoate CAS Name: 3-(1-oxopropylamino)-5-[[[oxo-[3-(1-pyrazolyl)phenyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(propanoylamino)-5-[[(3-pyrazol-1-ylbenzoyl)amino]methyl]benzoate Traditional Name: 3-propionamido-5-[[(3-pyrazol-1-ylbenzoyl)amino]methyl]benzoic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=C1)CNC(=O)C2=CC(=CC=C2)N3C=CC=N3)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=C1)CNC(=O)C2=CC(=CC=C2)N3C=CC=N3)C(=O)OC

InChI

InChI=1S/C22H22N4O4/c1-3-20(27)25-18-11-15(10-17(12-18)22(29)30-2)14-23-21(28)16-6-4-7-19(13-16)26-9-5-8-24-26/h4-13H,3,14H2,1-2H3,(H,23,28)(H,25,27)