5-(4-chlorophenyl)-4-octyl-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(4-chlorophenyl)-4-octyl-1,2-dihydropyrazol-3-one Openeye Name: 5-(4-chlorophenyl)-4-octyl-1,2-dihydropyrazol-3-one CAS Name: 5-(4-chlorophenyl)-4-octyl-1,2-dihydropyrazol-3-one IUPAC Name: 5-(4-chlorophenyl)-4-octyl-1,2-dihydropyrazol-3-one Traditional Name: 5-(4-chlorophenyl)-4-octyl-3-pyrazolin-3-one Formula: C17H23ClN2O MolecularWeight: 306.83032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NNC1=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCC1=C(NNC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O/c1-2-3-4-5-6-7-8-15-16(19-20-17(15)21)13-9-11-14(18)12-10-13/h9-12H,2-8H2,1H3,(H2,19,20,21)