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

Systemtic Name: 3-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H25N3OS/c27-16-20-3-1-4-21(13-20)17-28-8-2-9-29(11-10-28)18-25-15-24-14-22(5-6-26(24)30-25)23-7-12-31-19-23/h1,3-7,12-15,19H,2,8-11,17-18H2