1-[2-(4-fluoranylphenoxy)ethyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[2-(4-fluoranylphenoxy)ethyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[2-(4-fluorophenoxy)ethyl]-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[2-(4-fluorophenoxy)ethyl]-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[2-(4-fluorophenoxy)ethyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[2-(4-fluorophenoxy)ethyl]-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C26H27FN2O2S MolecularWeight: 450.568183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)CCOC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)CCOC5=CC=C(C=C5)F

InChI

InChI=1S/C26H27FN2O2S/c27-23-3-5-24(6-4-23)30-14-13-28-9-1-10-29(12-11-28)18-25-17-22-16-20(2-7-26(22)31-25)21-8-15-32-19-21/h2-8,15-17,19H,1,9-14,18H2