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

Systemtic Name: 3-(3-iodanylphenyl)-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-iodophenyl)-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-iodophenyl)-1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-iodophenyl)-1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-iodophenyl)-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H19IN4O2 MolecularWeight: 474.29493

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C20H19IN4O2/c1-13-8-9-16(25(26)27)12-18(13)24-20-17(7-2-3-10-22-20)19(23-24)14-5-4-6-15(21)11-14/h4-6,8-9,11-12,23H,2-3,7,10H2,1H3