3-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazol-5-one

Systemtic Name: 3-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazol-5-one Openeye Name: 2-[(4-isopropoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one CAS Name: 3-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazol-5-one IUPAC Name: 3-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazol-5-one Traditional Name: 1-(4-isopropoxybenzyl)-5-methyl-3-pyrazolin-3-one Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NN1CC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=CC(=O)NN1CC2=CC=C(C=C2)OC(C)C

InChI

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