2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

InChI

InChI=1S/C26H26N4O2S/c31-26-22-5-2-1-4-21(22)25(24-6-3-15-33-24)27-30(26)18-29-12-10-28(11-13-29)17-19-7-8-23-20(16-19)9-14-32-23/h1-8,15-16H,9-14,17-18H2