4-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCO)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N5O3/c27-12-11-25-7-9-26(10-8-25)21(29)19-14-15(5-6-22-19)13-18-16-3-1-2-4-17(16)20(28)24-23-18/h1-6,14,27H,7-13H2,(H,24,28)