[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3/c1-15-9-11-18(12-10-15)25(3)19(27)14-29-22(28)20-16(2)24-26(21(20)23)13-17-7-5-4-6-8-17/h4-8,15,18H,9-14H2,1-3H3