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

Systemtic Name: 2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-thenyl)piperazino]methyl]phthalazin-1-one Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c23-18-17-6-2-1-4-15(17)12-19-22(18)14-21-9-7-20(8-10-21)13-16-5-3-11-24-16/h1-6,11-12H,7-10,13-14H2