4-(4-chlorophenyl)carbonyl-2-hexyl-5-methyl-pyrazol-3-olate

Systemtic Name: 4-(4-chlorophenyl)carbonyl-2-hexyl-5-methyl-pyrazol-3-olate Openeye Name: 4-(4-chlorobenzoyl)-2-hexyl-5-methyl-pyrazol-3-olate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-2-hexyl-5-methyl-3-pyrazololate IUPAC Name: 4-(4-chlorobenzoyl)-2-hexyl-5-methylpyrazol-3-olate Traditional Name: 4-(4-chlorobenzoyl)-2-hexyl-5-methyl-pyrazol-3-olate Formula: C17H20ClN2O2- MolecularWeight: 319.8059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=N1)C)C(=O)C2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CCCCCCN1C(=C(C(=N1)C)C(=O)C2=CC=C(C=C2)Cl)[O-]

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/h7-10,22H,3-6,11H2,1-2H3/p-1