2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-ethylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-(4-ethylphenyl)nicotinonitrile Formula: C22H20BrN3O MolecularWeight: 422.3177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=C(C=CC(=C3)Br)OCC)C#N)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=C(C=CC(=C3)Br)OCC)C#N)N

InChI

InChI=1S/C22H20BrN3O/c1-3-14-5-7-15(8-6-14)20-12-17(19(13-24)22(25)26-20)18-11-16(23)9-10-21(18)27-4-2/h5-12H,3-4H2,1-2H3,(H2,25,26)