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

Systemtic Name: 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(2-thienylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-thenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H18N4O2S/c23-17-15-6-2-1-5-14(15)16(19-20-17)18(24)22-9-7-21(8-10-22)12-13-4-3-11-25-13/h1-6,11H,7-10,12H2,(H,20,23)