2-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[1-ethyl-3-[oxo-(phenethylamino)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C22H28N4O4/c1-2-26-14-18(24-20(27)16-10-6-7-11-17(16)22(29)30)19(25-26)21(28)23-13-12-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3,(H,23,28)(H,24,27)(H,29,30)