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

Systemtic Name: 5-methyl-4-(3-methylbutyl)-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-isopentyl-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(3-methylbutyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(3-methylbutyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-isoamyl-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C15H20N2O MolecularWeight: 244.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCC(C)C

InChI

InChI=1S/C15H20N2O/c1-11(2)9-10-14-12(3)16-17(15(14)18)13-7-5-4-6-8-13/h4-8,11,16H,9-10H2,1-3H3