5-methyl-4-nonanoyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-nonanoyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-nonanoyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(1-oxononyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-nonanoyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-pelargonyl-2-phenyl-3-pyrazolin-3-one Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C19H26N2O2/c1-3-4-5-6-7-11-14-17(22)18-15(2)20-21(19(18)23)16-12-9-8-10-13-16/h8-10,12-13,20H,3-7,11,14H2,1-2H3