4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H21ClN4O2/c1-14-7-8-15(22)13-18(14)25-9-11-26(12-10-25)21(28)19-16-5-3-4-6-17(16)20(27)24(2)23-19/h3-8,13H,9-12H2,1-2H3