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

Systemtic Name: 4-(3-nitro-4-piperidin-1-yl-phenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-one Openeye Name: 4-[3-nitro-4-(1-piperidyl)phenyl]-2-[2-oxo-2-(1-piperidyl)ethyl]phthalazin-1-one CAS Name: 4-[3-nitro-4-(1-piperidinyl)phenyl]-2-[2-oxo-2-(1-piperidinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(3-nitro-4-piperidin-1-ylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one Traditional Name: 2-(2-keto-2-piperidino-ethyl)-4-(3-nitro-4-piperidino-phenyl)phthalazin-1-one Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC(=O)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC(=O)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O4/c32-24(29-15-7-2-8-16-29)18-30-26(33)21-10-4-3-9-20(21)25(27-30)19-11-12-22(23(17-19)31(34)35)28-13-5-1-6-14-28/h3-4,9-12,17H,1-2,5-8,13-16,18H2