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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4=CC=CC=N4

InChI

InChI=1S/C19H19N5O2/c1-13-8-9-14(24(25)26)12-17(13)23-19-15(6-2-4-11-21-19)18(22-23)16-7-3-5-10-20-16/h3,5,7-10,12,22H,2,4,6,11H2,1H3