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

Systemtic Name: 4-methyl-2-[3-(4-methyl-3-oxidanylidene-piperazin-1-yl)carbonylphenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[3-(4-methyl-3-oxo-piperazine-1-carbonyl)phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[3-[(4-methyl-3-oxo-1-piperazinyl)-oxomethyl]phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]phthalazin-1-one Traditional Name: 2-[3-(3-keto-4-methyl-piperazine-1-carbonyl)phenyl]-4-methyl-phthalazin-1-one Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC(=C3)C(=O)N4CCN(C(=O)C4)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC(=C3)C(=O)N4CCN(C(=O)C4)C

InChI

InChI=1S/C21H20N4O3/c1-14-17-8-3-4-9-18(17)21(28)25(22-14)16-7-5-6-15(12-16)20(27)24-11-10-23(2)19(26)13-24/h3-9,12H,10-11,13H2,1-2H3