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

Systemtic Name: 5-(4-chlorophenyl)-2-octyl-pyrazole-3,4-dione Openeye Name: 5-(4-chlorophenyl)-2-octyl-pyrazole-3,4-dione CAS Name: 5-(4-chlorophenyl)-2-octylpyrazole-3,4-dione IUPAC Name: 5-(4-chlorophenyl)-2-octylpyrazole-3,4-dione Traditional Name: 5-(4-chlorophenyl)-2-octyl-2-pyrazoline-3,4-quinone Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2/c1-2-3-4-5-6-7-12-20-17(22)16(21)15(19-20)13-8-10-14(18)11-9-13/h8-11H,2-7,12H2,1H3