4-[[2,6-bis(chloranyl)phenyl]methyl]-3-propyl-1,4-dihydropyrazol-5-one

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-3-propyl-1,4-dihydropyrazol-5-one Openeye Name: 4-[(2,6-dichlorophenyl)methyl]-3-propyl-1,4-dihydropyrazol-5-one CAS Name: 4-[(2,6-dichlorophenyl)methyl]-3-propyl-1,4-dihydropyrazol-5-one IUPAC Name: 4-[(2,6-dichlorophenyl)methyl]-3-propyl-1,4-dihydropyrazol-5-one Traditional Name: 4-(2,6-dichlorobenzyl)-5-propyl-2-pyrazolin-3-one Formula: C13H14Cl2N2O MolecularWeight: 285.16906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=O)C1CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCC1=NNC(=O)C1CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O/c1-2-4-12-9(13(18)17-16-12)7-8-10(14)5-3-6-11(8)15/h3,5-6,9H,2,4,7H2,1H3,(H,17,18)