3-[3-[(1-morpholin-4-ylcyclohexyl)methylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[(1-morpholin-4-ylcyclohexyl)methylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[(1-morpholinocyclohexyl)methylamino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[[1-(4-morpholinyl)cyclohexyl]methylamino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[(1-morpholin-4-ylcyclohexyl)methylamino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[(1-morpholinocyclohexyl)methylamino]propyl]phthalazin-1-olate Formula: C22H29N4O4- MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-])N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-])N4CCOCC4

InChI

InChI=1S/C22H30N4O4/c27-19(8-11-26-21(29)18-7-3-2-6-17(18)20(28)24-26)23-16-22(9-4-1-5-10-22)25-12-14-30-15-13-25/h2-3,6-7H,1,4-5,8-16H2,(H,23,27)(H,24,28)/p-1