2-[4-[[(3-ethynylphenyl)amino]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[(3-ethynylphenyl)amino]methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(3-ethynylanilino)methyl]phenoxy]acetonitrile CAS Name: 2-[4-[(3-ethynylanilino)methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(3-ethynylanilino)methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(3-ethynylanilino)methyl]phenoxy]acetonitrile Formula: C17H14N2O MolecularWeight: 262.30586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O/c1-2-14-4-3-5-16(12-14)19-13-15-6-8-17(9-7-15)20-11-10-18/h1,3-9,12,19H,11,13H2