1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-naphthalen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-naphthalen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-(2-naphthyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-(2-naphthalenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-naphthalen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-4-(2-naphthyl)butane-1,4-dione Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28N2O3/c30-25(23-7-6-21-3-1-2-4-22(21)18-23)8-10-27(31)29-14-12-28(13-15-29)19-20-5-9-26-24(17-20)11-16-32-26/h1-7,9,17-18H,8,10-16,19H2