1-[4-(2-cyanoethylcarbamoyl)-2-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-(2-cyanoethylcarbamoyl)-2-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[4-(2-cyanoethylcarbamoyl)-2-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[4-[(2-cyanoethylamino)-oxomethyl]-2-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(2-cyanoethylcarbamoyl)-2-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-[4-(2-cyanoethylcarbamoyl)-2-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C(=O)NCCC#N)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C(=O)NCCC#N)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C25H26N4O5/c1-15(2)17-13-16(24(30)27-12-6-11-26)9-10-19(17)29-20(14-18(28-29)25(31)32)23-21(33-3)7-5-8-22(23)34-4/h5,7-10,13-15H,6,12H2,1-4H3,(H,27,30)(H,31,32)