4-[2-oxidanylidene-2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[3-[4-(4-pyridyl)-1H-pyrazol-5-yl]-1-piperidyl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1-piperidinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[3-[4-(4-pyridyl)-1H-pyrazol-5-yl]piperidino]ethyl]-2H-phthalazin-1-one Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=C(C=NN4)C5=CC=NC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=C(C=NN4)C5=CC=NC=C5

InChI

InChI=1S/C23H22N6O2/c30-21(12-20-17-5-1-2-6-18(17)23(31)28-26-20)29-11-3-4-16(14-29)22-19(13-25-27-22)15-7-9-24-10-8-15/h1-2,5-10,13,16H,3-4,11-12,14H2,(H,25,27)(H,28,31)