2-heptyl-5-methyl-4-(phenylcarbonyl)-4H-pyrazol-3-one

Systemtic Name: 2-heptyl-5-methyl-4-(phenylcarbonyl)-4H-pyrazol-3-one Openeye Name: 4-benzoyl-2-heptyl-5-methyl-4H-pyrazol-3-one CAS Name: 4-benzoyl-2-heptyl-5-methyl-4H-pyrazol-3-one IUPAC Name: 4-benzoyl-2-heptyl-5-methyl-4H-pyrazol-3-one Traditional Name: 4-benzoyl-2-heptyl-5-methyl-2-pyrazolin-3-one Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O2/c1-3-4-5-6-10-13-20-18(22)16(14(2)19-20)17(21)15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13H2,1-2H3