4-thiophen-2-yl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-thiophen-2-yl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(2-thienyl)-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-thiophen-2-yl-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-thiophen-2-yl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(3-thenyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H22N4OS2 MolecularWeight: 422.56628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

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