2-[(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(pyrrolidine-1-carbonyl)-1-piperidyl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(pyrrolidine-1-carbonyl)piperidino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(=O)C2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C23H26N4O2S/c28-22(26-11-3-4-12-26)17-9-13-25(14-10-17)16-27-23(29)19-7-2-1-6-18(19)21(24-27)20-8-5-15-30-20/h1-2,5-8,15,17H,3-4,9-14,16H2