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

Systemtic Name: 4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C21H19N5O3/c27-19-15-6-2-1-5-14(15)18(23-24-19)20(28)25-11-9-13(10-12-25)26-17-8-4-3-7-16(17)22-21(26)29/h1-8,13H,9-12H2,(H,22,29)(H,24,27)