2-octyl-5-phenyl-pyrazole-3,4-dione

Systemtic Name: 2-octyl-5-phenyl-pyrazole-3,4-dione Openeye Name: 2-octyl-5-phenyl-pyrazole-3,4-dione CAS Name: 2-octyl-5-phenylpyrazole-3,4-dione IUPAC Name: 2-octyl-5-phenylpyrazole-3,4-dione Traditional Name: 2-octyl-5-phenyl-2-pyrazoline-3,4-quinone Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2/c1-2-3-4-5-6-10-13-19-17(21)16(20)15(18-19)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3