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

Systemtic Name: 2-(2-methoxyphenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one Openeye Name: 4-isopentyl-2-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(2-methoxyphenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one IUPAC Name: 2-(2-methoxyphenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one Traditional Name: 4-isoamyl-2-(2-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=CC=C2OC)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2OC)CCC(C)C

InChI

InChI=1S/C16H22N2O2/c1-11(2)9-10-13-12(3)17-18(16(13)19)14-7-5-6-8-15(14)20-4/h5-8,11,17H,9-10H2,1-4H3