1-[(3-fluorophenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazine CAS Name: 1-[(3-fluorophenyl)methyl]-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]piperazine IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine Traditional Name: 1-(3-fluorobenzyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazine Formula: C27H27FN2O MolecularWeight: 414.514483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C27H27FN2O/c1-20-5-7-22(8-6-20)23-9-10-27-24(16-23)17-26(31-27)19-30-13-11-29(12-14-30)18-21-3-2-4-25(28)15-21/h2-10,15-17H,11-14,18-19H2,1H3