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

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2/c33-28-25-9-5-4-8-24(25)27(22-6-2-1-3-7-22)29-32(28)20-31-15-13-30(14-16-31)19-21-10-11-26-23(18-21)12-17-34-26/h1-11,18H,12-17,19-20H2