4-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[2-(4-pyridyl)ethyl]piperazino]ethyl]-2H-phthalazin-1-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2/c27-20(15-19-17-3-1-2-4-18(17)21(28)24-23-19)26-13-11-25(12-14-26)10-7-16-5-8-22-9-6-16/h1-6,8-9H,7,10-15H2,(H,24,28)