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

Systemtic Name: 1-(4-nitrophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-nitrophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-nitrophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-nitrophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-nitrophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H18N4O2 MolecularWeight: 334.37182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2/c24-23(25)16-11-9-15(10-12-16)22-19-17(8-4-5-13-20-19)18(21-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,21H,4-5,8,13H2