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

Systemtic Name: 2-[(4-piperidin-1-ylcarbonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(piperidine-1-carbonyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C23H27N5O2S/c29-22-19-8-3-2-7-18(19)21(20-9-6-16-31-20)24-28(22)17-25-12-14-27(15-13-25)23(30)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15,17H2