(1,3-diphenylpyrazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H20N4O3 MolecularWeight: 436.462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H20N4O3/c27-16-15-24(31)28-22-13-11-20(12-14-22)26(32)33-18-21-17-30(23-9-5-2-6-10-23)29-25(21)19-7-3-1-4-8-19/h1-14,17H,15,18H2,(H,28,31)