4-(2-ethylhexanoyl)-3-methyl-2-phenyl-1H-pyrazol-5-one

Systemtic Name: 4-(2-ethylhexanoyl)-3-methyl-2-phenyl-1H-pyrazol-5-one Openeye Name: 4-(2-ethylhexanoyl)-3-methyl-2-phenyl-1H-pyrazol-5-one CAS Name: 4-(2-ethyl-1-oxohexyl)-3-methyl-2-phenyl-1H-pyrazol-5-one IUPAC Name: 4-(2-ethylhexanoyl)-3-methyl-2-phenyl-1H-pyrazol-5-one Traditional Name: 4-(2-ethylhexanoyl)-5-methyl-1-phenyl-3-pyrazolin-3-one Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C1=C(N(NC1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC(CC)C(=O)C1=C(N(NC1=O)C2=CC=CC=C2)C

InChI

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