3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(4-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(4-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(4-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-(4-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)C)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)C)C(C)C

InChI

InChI=1S/C22H29N3O3/c1-14(2)25(21(26)17-9-5-15(3)6-10-17)20-19(22(27)28)13-24(23-20)18-11-7-16(4)8-12-18/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,27,28)