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

Systemtic Name: 1-(cyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(cyclohexen-1-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(1-cyclohexenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(cyclohexen-1-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCCCC3)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCCCC3)C(C)C

InChI

InChI=1S/C21H31N3O3/c1-14(2)24(20(25)16-11-9-15(3)10-12-16)19-18(21(26)27)13-23(22-19)17-7-5-4-6-8-17/h7,13-16H,4-6,8-12H2,1-3H3,(H,26,27)