4-[(3-methylimidazol-4-yl)methyl-[2-(pyridin-4-ylmethylamino)ethyl]amino]benzenecarbonitrile

Systemtic Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(pyridin-4-ylmethylamino)ethyl]amino]benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(4-pyridylmethylamino)ethyl]amino]benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)methyl-[2-(pyridin-4-ylmethylamino)ethyl]amino]benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(pyridin-4-ylmethylamino)ethyl]amino]benzonitrile Traditional Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(4-pyridylmethylamino)ethyl]amino]benzonitrile Formula: C20H22N6 MolecularWeight: 346.42888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN(CCNCC2=CC=NC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C=NC=C1CN(CCNCC2=CC=NC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N6/c1-25-16-24-14-20(25)15-26(19-4-2-17(12-21)3-5-19)11-10-23-13-18-6-8-22-9-7-18/h2-9,14,16,23H,10-11,13,15H2,1H3