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N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4C(F)(F)F
Isomeric SMILES
C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C21H19F3N4O/c22-21(23,24)17-10-4-3-9-16(17)20(29)25-15-8-6-7-14(13-15)19-27-26-18-11-2-1-5-12-28(18)19/h3-4,6-10,13H,1-2,5,11-12H2,(H,25,29)
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