4-[[5-[[[6-(2-phenylethynyl)pyridin-2-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[[6-(2-phenylethynyl)pyridin-2-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[6-(2-phenylethynyl)-2-pyridyl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[6-(2-phenylethynyl)-2-pyridinyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[6-(2-phenylethynyl)pyridin-2-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[6-(2-phenylethynyl)-2-pyridyl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H19N5 MolecularWeight: 389.45186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=NC(=CC=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=NC(=CC=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H19N5/c26-15-21-9-11-22(12-10-21)18-30-19-27-16-24(30)17-28-25-8-4-7-23(29-25)14-13-20-5-2-1-3-6-20/h1-12,16,19H,17-18H2,(H,28,29)