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

Systemtic Name: 1-(4-acetamidophenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(4-acetamidophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(4-acetamidophenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-acetamidophenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(4-acetamidophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C23H30N4O4 MolecularWeight: 426.5087

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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)NC(=O)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-14(2)27(22(29)17-7-5-15(3)6-8-17)21-20(23(30)31)13-26(25-21)19-11-9-18(10-12-19)24-16(4)28/h9-15,17H,5-8H2,1-4H3,(H,24,28)(H,30,31)