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

Systemtic Name: 5-chloranyl-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzofuran-2-carboxamide CAS Name: 5-chloro-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]coumarilamide Formula: C22H18ClFN4O2 MolecularWeight: 424.855323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC5=C(O4)C=CC(=C5)Cl)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC5=C(O4)C=CC(=C5)Cl)F

InChI

InChI=1S/C22H18ClFN4O2/c23-14-5-8-18-13(10-14)11-19(30-18)22(29)25-15-6-7-17(24)16(12-15)21-27-26-20-4-2-1-3-9-28(20)21/h5-8,10-12H,1-4,9H2,(H,25,29)