4-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenecarbonitrile Openeye Name: 4-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile CAS Name: 4-[1-[3-(1-imidazolyl)propylamino]ethyl]benzonitrile IUPAC Name: 4-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile Traditional Name: 4-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile Formula: C15H18N4 MolecularWeight: 254.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NCCCN2C=CN=C2

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NCCCN2C=CN=C2

InChI

InChI=1S/C15H18N4/c1-13(15-5-3-14(11-16)4-6-15)18-7-2-9-19-10-8-17-12-19/h3-6,8,10,12-13,18H,2,7,9H2,1H3