4-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(2-cyanoethyl)-3-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carbonyl]amino]benzoic acid Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)CCC#N

InChI

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