2-methyl-4-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 2-methyl-4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]phthalazin-1-one CAS Name: 2-methyl-4-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-2-methyl-phthalazin-1-one Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N4O3S/c1-22-19(26)15-6-3-2-5-14(15)16(21-22)13-18(25)23-8-10-24(11-9-23)20(27)17-7-4-12-28-17/h2-7,12H,8-11,13H2,1H3