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

Systemtic Name: 4-chloranyl-2-[4-(2-hydroxyethylamino)-1-pyridin-4-yl-butoxy]benzenecarbonitrile Openeye Name: 4-chloro-2-[4-(2-hydroxyethylamino)-1-(4-pyridyl)butoxy]benzonitrile CAS Name: 4-chloro-2-[4-(2-hydroxyethylamino)-1-pyridin-4-ylbutoxy]benzonitrile IUPAC Name: 4-chloro-2-[4-(2-hydroxyethylamino)-1-pyridin-4-ylbutoxy]benzonitrile Traditional Name: 4-chloro-2-[4-(2-hydroxyethylamino)-1-(4-pyridyl)butoxy]benzonitrile Formula: C18H20ClN3O2 MolecularWeight: 345.8233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)OC(CCCNCCO)C2=CC=NC=C2)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)OC(CCCNCCO)C2=CC=NC=C2)C#N

InChI

InChI=1S/C18H20ClN3O2/c19-16-4-3-15(13-20)18(12-16)24-17(2-1-7-21-10-11-23)14-5-8-22-9-6-14/h3-6,8-9,12,17,21,23H,1-2,7,10-11H2