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

Systemtic Name: 1-(2-nitrophenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-nitrophenyl)-3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-nitrophenyl)-3-(3-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-nitrophenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-nitrophenyl)-3-(3-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=CSC=C4)C1

Isomeric SMILES

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

InChI

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