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

Systemtic Name: 5-bromanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide CAS Name: 5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-2-furamide Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C18H17BrN4O2/c19-15-10-9-14(25-15)18(24)20-13-7-5-12(6-8-13)17-22-21-16-4-2-1-3-11-23(16)17/h5-10H,1-4,11H2,(H,20,24)