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

Systemtic Name: 4-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-2H-phthalazin-1-one Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H18N4O3S/c24-17(12-15-13-4-1-2-5-14(13)18(25)21-20-15)22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h1-6,11H,7-10,12H2,(H,21,25)