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

Systemtic Name: 5-methyl-2-(1-phenylbutyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-(1-phenylbutyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-(1-phenylbutyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(1-phenylbutyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-(1-phenylbutyl)-3-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)N2C(=O)C=C(N2)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)N2C(=O)C=C(N2)C

InChI

InChI=1S/C14H18N2O/c1-3-7-13(12-8-5-4-6-9-12)16-14(17)10-11(2)15-16/h4-6,8-10,13,15H,3,7H2,1-2H3