(4-fluorophenyl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C25H23FN2O2S MolecularWeight: 434.525723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C25H23FN2O2S/c26-22-5-2-18(3-6-22)25(29)28-10-1-9-27(11-12-28)16-23-15-21-14-19(4-7-24(21)30-23)20-8-13-31-17-20/h2-8,13-15,17H,1,9-12,16H2