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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C19H24ClN3O3 MolecularWeight: 377.86516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C19H24ClN3O3/c1-3-4-5-9-12-21-16(24)13-26-19(25)17-14(2)22-23(18(17)20)15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,21,24)