5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-ethyl-3-[oxo-(phenethylamino)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C20H22N6O4/c1-3-26-12-15(23-19(28)17-14(20(29)30)11-22-25(17)2)16(24-26)18(27)21-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,27)(H,23,28)(H,29,30)