4-[1-oxidanylidene-1-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2H-phthalazin-1-one

Systemtic Name: 4-[1-oxidanylidene-1-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2H-phthalazin-1-one Openeye Name: 4-[1-methyl-2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)-1-piperidyl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[1-oxo-1-[4-(2-propyl-3-imidazo[4,5-b]pyridinyl)-1-piperidinyl]propan-2-yl]-2H-phthalazin-1-one IUPAC Name: 4-[1-oxo-1-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-1-methyl-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidino]ethyl]-2H-phthalazin-1-one Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3CCN(CC3)C(=O)C(C)C4=NNC(=O)C5=CC=CC=C54)N=CC=C2

Isomeric SMILES

CCCC1=NC2=C(N1C3CCN(CC3)C(=O)C(C)C4=NNC(=O)C5=CC=CC=C54)N=CC=C2

InChI

InChI=1S/C25H28N6O2/c1-3-7-21-27-20-10-6-13-26-23(20)31(21)17-11-14-30(15-12-17)25(33)16(2)22-18-8-4-5-9-19(18)24(32)29-28-22/h4-6,8-10,13,16-17H,3,7,11-12,14-15H2,1-2H3,(H,29,32)