2,4-bis[[3,5-bis(trifluoromethyl)phenyl]-butyl-amino]cyclobutane-1,3-dione

Systemtic Name: 2,4-bis[[3,5-bis(trifluoromethyl)phenyl]-butyl-amino]cyclobutane-1,3-dione Openeye Name: 2,4-bis[N-butyl-3,5-bis(trifluoromethyl)anilino]cyclobutane-1,3-dione CAS Name: 2,4-bis[N-butyl-3,5-bis(trifluoromethyl)anilino]cyclobutane-1,3-dione IUPAC Name: 2,4-bis[N-butyl-3,5-bis(trifluoromethyl)anilino]cyclobutane-1,3-dione Traditional Name: 2,4-bis[N-butyl-3,5-bis(trifluoromethyl)anilino]cyclobutane-1,3-quinone Formula: C28H26F12N2O2 MolecularWeight: 650.499078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1C(=O)C(C1=O)N(CCCC)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCN(C1C(=O)C(C1=O)N(CCCC)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H26F12N2O2/c1-3-5-7-41(19-11-15(25(29,30)31)9-16(12-19)26(32,33)34)21-23(43)22(24(21)44)42(8-6-4-2)20-13-17(27(35,36)37)10-18(14-20)28(38,39)40/h9-14,21-22H,3-8H2,1-2H3