4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-24-21(28)18-8-3-2-7-17(18)19(23-24)14-20(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12,14H2,1H3