4-[[3-azanyl-6-(4-ethynyl-2,6-dimethyl-phenoxy)pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3-azanyl-6-(4-ethynyl-2,6-dimethyl-phenoxy)pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-amino-6-(4-ethynyl-2,6-dimethyl-phenoxy)-2-pyridyl]amino]benzonitrile CAS Name: 4-[[3-amino-6-(4-ethynyl-2,6-dimethylphenoxy)-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[3-amino-6-(4-ethynyl-2,6-dimethylphenoxy)pyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[3-amino-6-(4-ethynyl-2,6-dimethyl-phenoxy)-2-pyridyl]amino]benzonitrile Formula: C22H18N4O MolecularWeight: 354.40452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)N)NC3=CC=C(C=C3)C#N)C)C#C

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)N)NC3=CC=C(C=C3)C#N)C)C#C

InChI

InChI=1S/C22H18N4O/c1-4-16-11-14(2)21(15(3)12-16)27-20-10-9-19(24)22(26-20)25-18-7-5-17(13-23)6-8-18/h1,5-12H,24H2,2-3H3,(H,25,26)