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

Systemtic Name: 4-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-one Openeye Name: 4-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-2-[2-oxo-2-(1-piperidyl)ethyl]phthalazin-1-one CAS Name: 4-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-2-[2-oxo-2-(1-piperidinyl)ethyl]-1-phthalazinone IUPAC Name: 4-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one Traditional Name: 2-(2-keto-2-piperidino-ethyl)-4-[4-(4-methylpiperazino)-3-nitro-phenyl]phthalazin-1-one Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC(=O)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC(=O)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O4/c1-28-13-15-29(16-14-28)22-10-9-19(17-23(22)32(35)36)25-20-7-3-4-8-21(20)26(34)31(27-25)18-24(33)30-11-5-2-6-12-30/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3