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

Systemtic Name: 2-(2-methylpropyl)-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-isobutyl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 2-(2-methylpropyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-isobutyl-4-[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phthalazin-1-one Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-16(2)15-29-23(31)19-8-4-3-7-18(19)22(27-29)24(32)28-13-11-17(12-14-28)30-21-10-6-5-9-20(21)26-25(30)33/h3-10,16-17H,11-15H2,1-2H3,(H,26,33)