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

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3/c1-13-8-10-15(11-9-13)22-17(25)12-27-20(26)18-14(2)23-24(19(18)21)16-6-4-3-5-7-16/h3-7,13,15H,8-12H2,1-2H3,(H,22,25)