4-[[3-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-methylpiperazine-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2/c1-24-9-11-25(12-10-24)21(27)16-6-4-5-15(13-16)14-19-17-7-2-3-8-18(17)20(26)23-22-19/h2-8,13H,9-12,14H2,1H3,(H,23,26)