2-(2-nitro-5-piperidin-1-yl-phenyl)-4-phenyl-phthalazin-1-one

Systemtic Name: 2-(2-nitro-5-piperidin-1-yl-phenyl)-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-nitro-5-(1-piperidyl)phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-nitro-5-(1-piperidinyl)phenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-(2-nitro-5-piperidin-1-ylphenyl)-4-phenylphthalazin-1-one Traditional Name: 2-(2-nitro-5-piperidino-phenyl)-4-phenyl-phthalazin-1-one Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3/c30-25-21-12-6-5-11-20(21)24(18-9-3-1-4-10-18)26-28(25)23-17-19(13-14-22(23)29(31)32)27-15-7-2-8-16-27/h1,3-6,9-14,17H,2,7-8,15-16H2