5-methyl-2-(2-phenoxypropyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(2-phenoxypropyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-(2-phenoxypropyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-(2-phenoxypropyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(2-phenoxypropyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-(2-phenoxypropyl)-3-pyrazolin-3-one Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)CC(C)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)N(N1)CC(C)OC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c1-10-8-13(16)15(14-10)9-11(2)17-12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3