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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-methyl-5-nitrophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H20N4O2 MolecularWeight: 348.3984

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2/c1-14-10-11-16(24(25)26)13-18(14)23-20-17(9-5-6-12-21-20)19(22-23)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,22H,5-6,9,12H2,1H3