2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(3-pyridylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(3-pyridylmethyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H21N5O2/c1-23-19(26)17-7-3-2-6-16(17)18(22-23)20(27)25-11-9-24(10-12-25)14-15-5-4-8-21-13-15/h2-8,13H,9-12,14H2,1H3