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

Systemtic Name: 1-(4-nitrophenyl)-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-nitrophenyl)-3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-nitrophenyl)-3-(2-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-nitrophenyl)-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-nitrophenyl)-3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)C1

InChI

InChI=1S/C18H17N5O2/c24-23(25)14-9-7-13(8-10-14)22-18-15(5-1-3-12-20-18)17(21-22)16-6-2-4-11-19-16/h2,4,6-11,21H,1,3,5,12H2