3-[(3-ethynylphenyl)amino]pentanenitrile

Systemtic Name: 3-[(3-ethynylphenyl)amino]pentanenitrile Openeye Name: 3-(3-ethynylanilino)pentanenitrile CAS Name: 3-(3-ethynylanilino)pentanenitrile IUPAC Name: 3-(3-ethynylanilino)pentanenitrile Traditional Name: 3-(3-ethynylanilino)valeronitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=CC=CC(=C1)C#C

Isomeric SMILES

CCC(CC#N)NC1=CC=CC(=C1)C#C

InChI

InChI=1S/C13H14N2/c1-3-11-6-5-7-13(10-11)15-12(4-2)8-9-14/h1,5-7,10,12,15H,4,8H2,2H3