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

Systemtic Name: 4-octyl-5-(2-oxidanylnaphthalen-1-yl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(2-hydroxy-1-naphthyl)-4-octyl-1,2-dihydropyrazol-3-one CAS Name: 5-(2-hydroxy-1-naphthalenyl)-4-octyl-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2-hydroxynaphthalen-1-yl)-4-octyl-1,2-dihydropyrazol-3-one Traditional Name: 5-(2-hydroxy-1-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(C=CC3=CC=CC=C32)O

Isomeric SMILES

CCCCCCCCC1=C(NNC1=O)C2=C(C=CC3=CC=CC=C32)O

InChI

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