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

Systemtic Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]amino]methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[3,5-bis(trifluoromethyl)anilino]methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3,5-bis(trifluoromethyl)anilino]methyl]-4-butyl-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3,5-bis(trifluoromethyl)anilino]methyl]-4-butyl-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-[[3,5-bis(trifluoromethyl)anilino]methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C28H25F6N3O2 MolecularWeight: 549.507419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H25F6N3O2/c1-2-3-14-26(18-35-21-16-19(27(29,30)31)15-20(17-21)28(32,33)34)24(38)36(22-10-6-4-7-11-22)37(25(26)39)23-12-8-5-9-13-23/h4-13,15-17,35H,2-3,14,18H2,1H3