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

Systemtic Name: 4-(4-morpholin-4-yl-3-nitro-phenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-one Openeye Name: 4-(4-morpholino-3-nitro-phenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]phthalazin-1-one CAS Name: 4-[4-(4-morpholinyl)-3-nitrophenyl]-2-[2-oxo-2-(1-piperidinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-morpholin-4-yl-3-nitrophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one Traditional Name: 2-(2-keto-2-piperidino-ethyl)-4-(4-morpholino-3-nitro-phenyl)phthalazin-1-one Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5/c31-23(28-10-4-1-5-11-28)17-29-25(32)20-7-3-2-6-19(20)24(26-29)18-8-9-21(22(16-18)30(33)34)27-12-14-35-15-13-27/h2-3,6-9,16H,1,4-5,10-15,17H2