4-[[4-(1-benzofuran-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-benzofuran-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(benzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-benzofuranyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(benzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3O2)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3O2)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3O2/c23-15-17-6-8-18(9-7-17)16-24-10-3-11-25(13-12-24)22(26)21-14-19-4-1-2-5-20(19)27-21/h1-2,4-9,14H,3,10-13,16H2