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

Systemtic Name: 2-(4-methoxyphenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one Openeye Name: 4-isopentyl-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(4-methoxyphenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one IUPAC Name: 2-(4-methoxyphenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one Traditional Name: 4-isoamyl-2-(4-methoxyphenyl)-5-methyl-3-pyrazolin-3-one Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2/c1-11(2)5-10-15-12(3)17-18(16(15)19)13-6-8-14(20-4)9-7-13/h6-9,11,17H,5,10H2,1-4H3