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

Systemtic Name: 1-(2-nitrophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-nitrophenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-nitrophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-nitrophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-nitrophenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4)C1

InChI

InChI=1S/C17H16N4O2S/c22-21(23)14-8-2-1-7-13(14)20-17-12(6-3-4-10-18-17)16(19-20)15-9-5-11-24-15/h1-2,5,7-9,11,19H,3-4,6,10H2