3-[[[4-(cyanomethyl)phenyl]amino]methyl]-1-benzofuran-2-carbonitrile

Systemtic Name: 3-[[[4-(cyanomethyl)phenyl]amino]methyl]-1-benzofuran-2-carbonitrile Openeye Name: 3-[[4-(cyanomethyl)anilino]methyl]benzofuran-2-carbonitrile CAS Name: 3-[[4-(cyanomethyl)anilino]methyl]-2-benzofurancarbonitrile IUPAC Name: 3-[[4-(cyanomethyl)anilino]methyl]-1-benzofuran-2-carbonitrile Traditional Name: 3-[[4-(cyanomethyl)anilino]methyl]coumarilonitrile Formula: C18H13N3O MolecularWeight: 287.31532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C#N)CNC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C#N)CNC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H13N3O/c19-10-9-13-5-7-14(8-6-13)21-12-16-15-3-1-2-4-17(15)22-18(16)11-20/h1-8,21H,9,12H2