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

Systemtic Name: 4-[[2-(4-ethylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[(4-ethyl-1-piperazinyl)-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-(4-ethylpiperazine-1-carbonyl)pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2/c1-2-25-9-11-26(12-10-25)21(28)19-14-15(7-8-22-19)13-18-16-5-3-4-6-17(16)20(27)24-23-18/h3-8,14H,2,9-13H2,1H3,(H,24,27)