3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl]phthalazine-1-carboxamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)N4CCOCC4

InChI

InChI=1S/C22H29N5O4/c23-20(29)19-16-6-2-3-7-17(16)21(30)27(25-19)14-18(28)24-15-22(8-4-1-5-9-22)26-10-12-31-13-11-26/h2-3,6-7H,1,4-5,8-15H2,(H2,23,29)(H,24,28)