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

Systemtic Name: 5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-one Openeye Name: 4-[(4-isopropoxyphenyl)methyl]-5-methyl-pyrazol-3-one CAS Name: 5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-3-pyrazolone IUPAC Name: 5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-one Traditional Name: 4-(4-isopropoxybenzyl)-5-methyl-pyrazol-3-one Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)CC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=C(C(=O)N=N1)CC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C14H16N2O2/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