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

Systemtic Name: 4-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[4-(3-chlorobenzyl)piperazino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O2/c1-25-22(29)19-8-3-2-7-18(19)20(24-25)14-21(28)27-11-9-26(10-12-27)15-16-5-4-6-17(23)13-16/h2-8,13H,9-12,14-15H2,1H3