4-(3-imidazol-1-ylpropylamino)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(3-imidazol-1-ylpropylamino)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-(1-imidazolyl)propylamino]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(3-imidazol-1-ylpropylamino)-2-(trifluoromethyl)benzonitrile Formula: C14H13F3N4 MolecularWeight: 294.27503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCN2C=CN=C2)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=C(C=C1NCCCN2C=CN=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H13F3N4/c15-14(16,17)13-8-12(3-2-11(13)9-18)20-4-1-6-21-7-5-19-10-21/h2-3,5,7-8,10,20H,1,4,6H2