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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H21N5O3/c1-25-20(28)16-7-3-2-6-15(16)19(24-25)21(29)26-12-10-14(11-13-26)27-18-9-5-4-8-17(18)23-22(27)30/h2-9,14H,10-13H2,1H3,(H,23,30)