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

Systemtic Name: 4-octyl-5-(1-oxidanylnaphthalen-2-yl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(1-hydroxy-2-naphthyl)-4-octyl-1,2-dihydropyrazol-3-one CAS Name: 5-(1-hydroxy-2-naphthalenyl)-4-octyl-1,2-dihydropyrazol-3-one IUPAC Name: 5-(1-hydroxynaphthalen-2-yl)-4-octyl-1,2-dihydropyrazol-3-one Traditional Name: 5-(1-hydroxy-2-naphthyl)-4-octyl-3-pyrazolin-3-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NNC1=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

CCCCCCCCC1=C(NNC1=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C21H26N2O2/c1-2-3-4-5-6-7-12-18-19(22-23-21(18)25)17-14-13-15-10-8-9-11-16(15)20(17)24/h8-11,13-14,24H,2-7,12H2,1H3,(H2,22,23,25)