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

Systemtic Name: 5-(4-methoxyphenyl)-4-octyl-1,2-dihydropyrazol-3-one Openeye Name: 5-(4-methoxyphenyl)-4-octyl-1,2-dihydropyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-4-octyl-1,2-dihydropyrazol-3-one IUPAC Name: 5-(4-methoxyphenyl)-4-octyl-1,2-dihydropyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-4-octyl-3-pyrazolin-3-one Formula: C18H26N2O2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2/c1-3-4-5-6-7-8-9-16-17(19-20-18(16)21)14-10-12-15(22-2)13-11-14/h10-13H,3-9H2,1-2H3,(H2,19,20,21)