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

Systemtic Name: 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

Isomeric SMILES

CC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C20H22N2O2S/c1-15(23)22-7-2-6-21(8-9-22)13-19-12-18-11-16(3-4-20(18)24-19)17-5-10-25-14-17/h3-5,10-12,14H,2,6-9,13H2,1H3