3-[bis(fluoranyl)methoxy]-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide

Systemtic Name: 3-[bis(fluoranyl)methoxy]-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Openeye Name: 3-(difluoromethoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide CAS Name: 3-(difluoromethoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide IUPAC Name: 3-(difluoromethoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Traditional Name: 3-(difluoromethoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]benzamide Formula: C21H19F3N4O2 MolecularWeight: 416.39637

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)OC(F)F)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)OC(F)F)F

InChI

InChI=1S/C21H19F3N4O2/c22-17-9-8-14(25-20(29)13-5-4-6-15(11-13)30-21(23)24)12-16(17)19-27-26-18-7-2-1-3-10-28(18)19/h4-6,8-9,11-12,21H,1-3,7,10H2,(H,25,29)