1-[4-(cyanomethylcarbamoyl)naphthalen-1-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-(cyanomethylcarbamoyl)naphthalen-1-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[4-(cyanomethylcarbamoyl)-1-naphthyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[4-[(cyanomethylamino)-oxomethyl]-1-naphthalenyl]-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(cyanomethylcarbamoyl)naphthalen-1-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-[4-(cyanomethylcarbamoyl)-1-naphthyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C(=O)NCC#N)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C(=O)NCC#N)C(=O)O

InChI

InChI=1S/C25H20N4O5/c1-33-21-8-5-9-22(34-2)23(21)20-14-18(25(31)32)28-29(20)19-11-10-17(24(30)27-13-12-26)15-6-3-4-7-16(15)19/h3-11,14H,13H2,1-2H3,(H,27,30)(H,31,32)