[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O3/c1-15-5-9-19(10-6-15)13-26-18(4)22(17(3)25-26)23(28)29-14-21(27)24-20-11-7-16(2)8-12-20/h5-6,9-10,16,20H,7-8,11-14H2,1-4H3,(H,24,27)