[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl] ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H19N5O4/c1-15-13-19(27(26-15)18-5-3-2-4-6-18)25-21(29)14-31-22(30)16-7-9-17(10-8-16)24-20(28)11-12-23/h2-10,13H,11,14H2,1H3,(H,24,28)(H,25,29)