4-(4-chlorophenyl)carbonyl-2-hexyl-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-(4-chlorophenyl)carbonyl-2-hexyl-5-methyl-1H-pyrazol-3-one Openeye Name: 4-(4-chlorobenzoyl)-2-hexyl-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-2-hexyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-(4-chlorobenzoyl)-2-hexyl-5-methyl-1H-pyrazol-3-one Traditional Name: 4-(4-chlorobenzoyl)-2-hexyl-5-methyl-3-pyrazolin-3-one Formula: C17H21ClN2O2 MolecularWeight: 320.81384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=C(N1)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCN1C(=O)C(=C(N1)C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O2/c1-3-4-5-6-11-20-17(22)15(12(2)19-20)16(21)13-7-9-14(18)10-8-13/h7-10,19H,3-6,11H2,1-2H3