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

Systemtic Name: 3-naphthalen-2-yl-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2-naphthyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-naphthalenyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-naphthalen-2-yl-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2-naphthyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C23H20N4O2 MolecularWeight: 384.4305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5C=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5C=C4)C1

InChI

InChI=1S/C23H20N4O2/c28-27(29)20-12-10-19(11-13-20)26-23-21(7-3-4-14-24-23)22(25-26)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-13,15,25H,3-4,7,14H2