4-[3-nitro-4-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-nitro-4-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-nitro-4-(2,2,6,6-tetramethyl-1-piperidyl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-(2,2,6,6-tetramethyl-1-piperidinyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-nitro-4-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-nitro-4-(2,2,6,6-tetramethylpiperidino)phenyl]-2H-phthalazin-1-one Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(N1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC1(CCCC(N1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C23H26N4O3/c1-22(2)12-7-13-23(3,4)26(22)18-11-10-15(14-19(18)27(29)30)20-16-8-5-6-9-17(16)21(28)25-24-20/h5-6,8-11,14H,7,12-13H2,1-4H3,(H,25,28)