4-thiophen-2-yl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-thiophen-2-yl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(2-thienyl)-2-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-thiophen-2-yl-2-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-thiophen-2-yl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-thenyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C22H22N4OS2/c27-22-19-7-2-1-6-18(19)21(20-8-4-14-29-20)23-26(22)16-25-11-9-24(10-12-25)15-17-5-3-13-28-17/h1-8,13-14H,9-12,15-16H2