(4-pyrazol-1-ylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H16N4O3/c21-11-10-19(25)23-17-6-4-16(5-7-17)20(26)27-14-15-2-8-18(9-3-15)24-13-1-12-22-24/h1-9,12-13H,10,14H2,(H,23,25)