N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]piperazine-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]piperazine-1-carboxamide Formula: C28H28FN3O2 MolecularWeight: 457.539223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H28FN3O2/c1-2-20-6-9-25(10-7-20)30-28(33)32-14-12-31(13-15-32)19-26-18-23-16-22(8-11-27(23)34-26)21-4-3-5-24(29)17-21/h3-11,16-18H,2,12-15,19H2,1H3,(H,30,33)