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

Systemtic Name: 3-naphthalen-2-yl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2-naphthyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-naphthalenyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-naphthalen-2-yl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2-naphthyl)-1-(2-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=CC=C3[N+](=O)[O-])C4=CC5=CC=CC=C5C=C4)C1

Isomeric SMILES

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

InChI

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