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

Systemtic Name: 2-(phenylmethyl)-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-thienylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-thenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H24N4O2S MolecularWeight: 444.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c30-24-22-11-5-4-10-21(22)23(26-29(24)17-19-7-2-1-3-8-19)25(31)28-14-12-27(13-15-28)18-20-9-6-16-32-20/h1-11,16H,12-15,17-18H2