4-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]-2H-phthalazin-1-one Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H21N5O3/c28-20(13-18-15-5-1-2-6-16(15)21(29)25-24-18)26-11-9-14(10-12-26)27-19-8-4-3-7-17(19)23-22(27)30/h1-8,14H,9-13H2,(H,23,30)(H,25,29)