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

Systemtic Name: 4-[[5-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonylthiophen-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-thienyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[5-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-2-thiophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-thienyl]methyl]-2H-phthalazin-1-one Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3S/c1-17(31)18-6-8-19(9-7-18)29-12-14-30(15-13-29)26(33)24-11-10-20(34-24)16-23-21-4-2-3-5-22(21)25(32)28-27-23/h2-11H,12-16H2,1H3,(H,28,32)