5-methyl-2-(2-phenoxybutyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(2-phenoxybutyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-(2-phenoxybutyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-(2-phenoxybutyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(2-phenoxybutyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-(2-phenoxybutyl)-3-pyrazolin-3-one Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C=C(N1)C)OC2=CC=CC=C2

Isomeric SMILES

CCC(CN1C(=O)C=C(N1)C)OC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2/c1-3-12(18-13-7-5-4-6-8-13)10-16-14(17)9-11(2)15-16/h4-9,12,15H,3,10H2,1-2H3