5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrazol-3-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=C(C(=O)NN1)CC2=CC=C(C=C2)OC(C)C

InChI

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