1-[3-[2,2,3,3,4,4,4-heptakis(fluoranyl)butoxymethyl]phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-[3-[2,2,3,3,4,4,4-heptakis(fluoranyl)butoxymethyl]phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Openeye Name: 1-[3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide CAS Name: 1-[3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-[3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Traditional Name: 1-[3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Formula: C20H15F7N4O2 MolecularWeight: 476.347522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)COCC(C(C(F)(F)F)(F)F)(F)F)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)COCC(C(C(F)(F)F)(F)F)(F)F)C(=O)N

InChI

InChI=1S/C20H15F7N4O2/c21-18(22,19(23,24)20(25,26)27)11-33-10-12-5-4-8-14(9-12)31-17(13-6-2-1-3-7-13)29-16(30-31)15(28)32/h1-9H,10-11H2,(H2,28,32)