1-(4-methylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(oxan-4-yl)amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-methylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(oxan-4-yl)amino]pyrazole-4-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-tetrahydropyran-4-yl-amino]-1-(4-methylcyclohexen-1-yl)pyrazole-4-carboxylic acid CAS Name: 1-(4-methyl-1-cyclohexenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-(4-oxanyl)amino]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazole-4-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-tetrahydropyran-4-yl-amino]-1-(4-methylcyclohexen-1-yl)pyrazole-4-carboxylic acid Formula: C24H35N3O4 MolecularWeight: 429.5524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCOCC2)C3=NN(C=C3C(=O)O)C4=CCC(CC4)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCOCC2)C3=NN(C=C3C(=O)O)C4=CCC(CC4)C

InChI

InChI=1S/C24H35N3O4/c1-16-3-7-18(8-4-16)23(28)27(20-11-13-31-14-12-20)22-21(24(29)30)15-26(25-22)19-9-5-17(2)6-10-19/h9,15-18,20H,3-8,10-14H2,1-2H3,(H,29,30)