[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-16-8-10-19(11-9-16)23(2)20(25)15-27-21(26)18-12-22-24(14-18)13-17-6-4-3-5-7-17/h3-7,12,14,16,19H,8-11,13,15H2,1-2H3