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

Systemtic Name: 3-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[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-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O2S/c27-16-19-3-1-4-21(13-19)26(30)29-9-2-8-28(10-11-29)17-24-15-23-14-20(5-6-25(23)31-24)22-7-12-32-18-22/h1,3-7,12-15,18H,2,8-11,17H2