N-hexyl-5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Systemtic Name: N-hexyl-5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Openeye Name: N-hexyl-5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide CAS Name: N-hexyl-5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide IUPAC Name: N-hexyl-5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Traditional Name: N-hexyl-5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Formula: C21H22F3N3O MolecularWeight: 389.41409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC2=C(N1)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCCCNC(=O)C1=CC2=C(N1)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O/c1-2-3-4-8-11-25-20(28)18-13-17-19(27-18)15(21(22,23)24)12-16(26-17)14-9-6-5-7-10-14/h5-7,9-10,12-13,27H,2-4,8,11H2,1H3,(H,25,28)