3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: 3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: 3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoate Formula: C22H19N4O5- MolecularWeight: 419.41006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C(=O)[O-])CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C(=O)[O-])CCC#N)OC

InChI

InChI=1S/C22H20N4O5/c1-30-18-8-7-14(12-19(18)31-2)20-17(13-26(25-20)10-4-9-23)21(27)24-16-6-3-5-15(11-16)22(28)29/h3,5-8,11-13H,4,10H2,1-2H3,(H,24,27)(H,28,29)/p-1