4-[[2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-[4-(2-thenoyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H21N5O3S/c30-22-18-5-2-1-4-17(18)19(26-27-22)14-16-7-8-25-20(15-16)23(31)28-9-11-29(12-10-28)24(32)21-6-3-13-33-21/h1-8,13,15H,9-12,14H2,(H,27,30)