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

Systemtic Name: 3-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide Openeye Name: 3-(2-thienylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide CAS Name: 3-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide IUPAC Name: 3-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamide Traditional Name: 3-(2-thenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carboxamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=O)N)CC3=CC=CS3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=O)N)CC3=CC=CS3)C1

InChI

InChI=1S/C13H16N4OS/c14-13(18)17-12-10(5-1-2-6-15-12)11(16-17)8-9-4-3-7-19-9/h3-4,7,16H,1-2,5-6,8H2,(H2,14,18)