N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromanyl-butanamide

Systemtic Name: N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromanyl-butanamide Openeye Name: N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromo-butanamide CAS Name: N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromobutanamide IUPAC Name: N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromobutanamide Traditional Name: N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromo-butyramide Formula: C21H14BrF12NO MolecularWeight: 604.226798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br

Isomeric SMILES

CC(CC(=O)NC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br

InChI

InChI=1S/C21H14BrF12NO/c1-9(22)2-16(36)35-17(10-3-12(18(23,24)25)7-13(4-10)19(26,27)28)11-5-14(20(29,30)31)8-15(6-11)21(32,33)34/h3-9,17H,2H2,1H3,(H,35,36)