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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

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