5-(3-methoxyphenyl)-2-octyl-pyrazole-3,4-dione

Systemtic Name: 5-(3-methoxyphenyl)-2-octyl-pyrazole-3,4-dione Openeye Name: 5-(3-methoxyphenyl)-2-octyl-pyrazole-3,4-dione CAS Name: 5-(3-methoxyphenyl)-2-octylpyrazole-3,4-dione IUPAC Name: 5-(3-methoxyphenyl)-2-octylpyrazole-3,4-dione Traditional Name: 5-(3-methoxyphenyl)-2-octyl-2-pyrazoline-3,4-quinone Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCCCCN1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H24N2O3/c1-3-4-5-6-7-8-12-20-18(22)17(21)16(19-20)14-10-9-11-15(13-14)23-2/h9-11,13H,3-8,12H2,1-2H3