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

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

Systemtic Name:2-bromanyl-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Openeye Name:2-bromo-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CAS Name:2-bromo-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
IUPAC Name:2-bromo-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Traditional Name:2-bromo-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]benzamide
Formula: C20H18BrFN4O
MolecularWeight: 429.285523
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4Br)F


Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4Br)F


InChI

InChI=1S/C20H18BrFN4O/c21-16-7-4-3-6-14(16)20(27)23-13-9-10-17(22)15(12-13)19-25-24-18-8-2-1-5-11-26(18)19/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,23,27)


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