4-[[(3-ethynylphenyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3-ethynylphenyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[(3-ethynylanilino)methyl]benzonitrile CAS Name: 4-[(3-ethynylanilino)methyl]benzonitrile IUPAC Name: 4-[(3-ethynylanilino)methyl]benzonitrile Traditional Name: 4-[(3-ethynylanilino)methyl]benzonitrile Formula: C16H12N2 MolecularWeight: 232.27988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H12N2/c1-2-13-4-3-5-16(10-13)18-12-15-8-6-14(11-17)7-9-15/h1,3-10,18H,12H2