4-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butyl]-2-phenyl-3H-1,5-benzodiazepine

Systemtic Name: 4-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butyl]-2-phenyl-3H-1,5-benzodiazepine Openeye Name: 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-3H-1,5-benzodiazepine CAS Name: 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-3H-1,5-benzodiazepine IUPAC Name: 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-3H-1,5-benzodiazepine Traditional Name: 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-3H-1,5-benzodiazepine Formula: C19H11F9N2 MolecularWeight: 438.289669

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=CC=CC=C2N=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1C(=NC2=CC=CC=C2N=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H11F9N2/c20-16(21,17(22,23)18(24,25)19(26,27)28)15-10-14(11-6-2-1-3-7-11)29-12-8-4-5-9-13(12)30-15/h1-9H,10H2