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

Systemtic Name: 1-(4-nitrophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-nitrophenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-nitrophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-nitrophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-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=C(C=C3)[N+](=O)[O-])C4=CC=CS4)C1

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S/c22-21(23)13-8-6-12(7-9-13)20-17-14(4-1-2-10-18-17)16(19-20)15-5-3-11-24-15/h3,5-9,11,19H,1-2,4,10H2