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

Systemtic Name: 3-[[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile Formula: C27H24N4O2 MolecularWeight: 436.50506

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O2/c28-17-20-4-1-5-22(14-20)27(32)31-11-3-10-30(12-13-31)19-25-16-24-15-21(7-8-26(24)33-25)23-6-2-9-29-18-23/h1-2,4-9,14-16,18H,3,10-13,19H2