4-[[2-(2-phenylethynyl)pyrrolidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(2-phenylethynyl)pyrrolidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-(2-phenylethynyl)pyrrolidin-1-yl]methyl]benzonitrile CAS Name: 4-[[2-(2-phenylethynyl)-1-pyrrolidinyl]methyl]benzonitrile IUPAC Name: 4-[[2-(2-phenylethynyl)pyrrolidin-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-(2-phenylethynyl)pyrrolidino]methyl]benzonitrile Formula: C20H18N2 MolecularWeight: 286.37032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=C(C=C2)C#N)C#CC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)CC2=CC=C(C=C2)C#N)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2/c21-15-18-8-10-19(11-9-18)16-22-14-4-7-20(22)13-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,14,16H2