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

Systemtic Name: 4-(3-nitro-4-piperidin-1-yl-phenyl)-2H-phthalazin-1-one Openeye Name: 4-[3-nitro-4-(1-piperidyl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-(1-piperidinyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-(3-nitro-4-piperidin-1-ylphenyl)-2H-phthalazin-1-one Traditional Name: 4-(3-nitro-4-piperidino-phenyl)-2H-phthalazin-1-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3/c24-19-15-7-3-2-6-14(15)18(20-21-19)13-8-9-16(17(12-13)23(25)26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,24)