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

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

C1CN(CCC1C2=C(C=NN2)C3=CC=NC=C3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=C(C=NN2)C3=CC=NC=C3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

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