5-methyl-4-(3-phenoxypropyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-(3-phenoxypropyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-(3-phenoxypropyl)-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-(3-phenoxypropyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-(3-phenoxypropyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-methyl-4-(3-phenoxypropyl)-3-pyrazolin-3-one Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CCCOC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)NN1)CCCOC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c1-10-12(13(16)15-14-10)8-5-9-17-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,14,15,16)