3-(5-bromanylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide Openeye Name: 3-(5-bromo-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide CAS Name: 3-(5-bromo-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide IUPAC Name: 3-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide Traditional Name: 3-(5-bromo-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carboxamide Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=O)N)C3=CC=C(S3)Br)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=O)N)C3=CC=C(S3)Br)C1

InChI

InChI=1S/C12H13BrN4OS/c13-9-5-4-8(19-9)10-7-3-1-2-6-15-11(7)17(16-10)12(14)18/h4-5,16H,1-3,6H2,(H2,14,18)