2-methyl-4-(3-nitro-4-piperidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 2-methyl-4-(3-nitro-4-piperidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 2-methyl-4-[3-nitro-4-(1-piperidyl)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-(1-piperidinyl)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-(3-nitro-4-piperidin-1-ylphenyl)phthalazin-1-one Traditional Name: 2-methyl-4-(3-nitro-4-piperidino-phenyl)phthalazin-1-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-22-20(25)16-8-4-3-7-15(16)19(21-22)14-9-10-17(18(13-14)24(26)27)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3