4-[[5-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylthiophen-2-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[5-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylthiophen-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-thienyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[5-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-thiophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-thienyl]methyl]-2H-phthalazin-1-one Formula: C25H24N4O3S MolecularWeight: 460.54806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(S3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(S3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H24N4O3S/c1-32-18-6-4-5-17(15-18)28-11-13-29(14-12-28)25(31)23-10-9-19(33-23)16-22-20-7-2-3-8-21(20)24(30)27-26-22/h2-10,15H,11-14,16H2,1H3,(H,27,30)