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

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazino]methyl]phthalazin-1-one Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c27-22-20-4-2-1-3-19(20)14-23-26(22)16-25-10-8-24(9-11-25)15-17-5-6-21-18(13-17)7-12-28-21/h1-6,13-14H,7-12,15-16H2