2-[4-(2-hydroxyethylamino)-1-pyridin-4-yl-butoxy]benzenecarbonitrile

Systemtic Name: 2-[4-(2-hydroxyethylamino)-1-pyridin-4-yl-butoxy]benzenecarbonitrile Openeye Name: 2-[4-(2-hydroxyethylamino)-1-(4-pyridyl)butoxy]benzonitrile CAS Name: 2-[4-(2-hydroxyethylamino)-1-pyridin-4-ylbutoxy]benzonitrile IUPAC Name: 2-[4-(2-hydroxyethylamino)-1-pyridin-4-ylbutoxy]benzonitrile Traditional Name: 2-[4-(2-hydroxyethylamino)-1-(4-pyridyl)butoxy]benzonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OC(CCCNCCO)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OC(CCCNCCO)C2=CC=NC=C2

InChI

InChI=1S/C18H21N3O2/c19-14-16-4-1-2-5-18(16)23-17(6-3-9-20-12-13-22)15-7-10-21-11-8-15/h1-2,4-5,7-8,10-11,17,20,22H,3,6,9,12-13H2