3-[3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-oxo-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[4-(2-thenoyl)piperazino]propyl]-2H-phthalazine-1,4-quinone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N4O4S/c25-17(22-9-11-23(12-10-22)20(28)16-6-3-13-29-16)7-8-24-19(27)15-5-2-1-4-14(15)18(26)21-24/h1-6,13H,7-12H2,(H,21,26)