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

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(3-chlorobenzyl)piperazine-1-carbonyl]-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)C(=O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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