4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(3-methyl-1-piperidyl)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(3-methylpiperidino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-13-5-4-10-23(12-13)17-9-8-14(11-18(17)24(26)27)19-15-6-2-3-7-16(15)20(25)22-21-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,25)