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

Systemtic Name: 2-ethyl-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-ethyl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-ethyl-4-[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 2-ethyl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-ethyl-4-[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phthalazin-1-one Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C23H23N5O3/c1-2-27-21(29)17-8-4-3-7-16(17)20(25-27)22(30)26-13-11-15(12-14-26)28-19-10-6-5-9-18(19)24-23(28)31/h3-10,15H,2,11-14H2,1H3,(H,24,31)