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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-thenyl)piperazino]ethyl]-2H-phthalazin-1-one Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H20N4O2S/c24-18(12-17-15-5-1-2-6-16(15)19(25)21-20-17)23-9-7-22(8-10-23)13-14-4-3-11-26-14/h1-6,11H,7-10,12-13H2,(H,21,25)