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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-methyl-5-nitrophenyl)-3-(3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H19N5O2 MolecularWeight: 349.38646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

InChI

InChI=1S/C19H19N5O2/c1-13-7-8-15(24(25)26)11-17(13)23-19-16(6-2-3-10-21-19)18(22-23)14-5-4-9-20-12-14/h4-5,7-9,11-12,22H,2-3,6,10H2,1H3