3-[2-cyclohexylethanoyl(propan-2-yl)amino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[2-cyclohexylethanoyl(propan-2-yl)amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[(2-cyclohexylacetyl)-isopropyl-amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[(2-cyclohexyl-1-oxoethyl)-propan-2-ylamino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(2-cyclohexylacetyl)-propan-2-ylamino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[(2-cyclohexylacetyl)-isopropyl-amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=NN(C=C1C(=O)O)C2=CC=CC=C2)C(=O)CC3CCCCC3

Isomeric SMILES

CC(C)N(C1=NN(C=C1C(=O)O)C2=CC=CC=C2)C(=O)CC3CCCCC3

InChI

InChI=1S/C21H27N3O3/c1-15(2)24(19(25)13-16-9-5-3-6-10-16)20-18(21(26)27)14-23(22-20)17-11-7-4-8-12-17/h4,7-8,11-12,14-16H,3,5-6,9-10,13H2,1-2H3,(H,26,27)