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

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-4-phenyl-butane-1,4-dione Formula: C23H26N2O3 MolecularWeight: 378.46414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c26-21(19-4-2-1-3-5-19)7-9-23(27)25-13-11-24(12-14-25)17-18-6-8-22-20(16-18)10-15-28-22/h1-6,8,16H,7,9-15,17H2