4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-5-methyl-3-pyrazolin-3-one Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CCCCCCOC2=C(C=C(C=C2)OC)Cl

Isomeric SMILES

CC1=C(C(=O)NN1)CCCCCCOC2=C(C=C(C=C2)OC)Cl

InChI

InChI=1S/C17H23ClN2O3/c1-12-14(17(21)20-19-12)7-5-3-4-6-10-23-16-9-8-13(22-2)11-15(16)18/h8-9,11H,3-7,10H2,1-2H3,(H2,19,20,21)