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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2,5-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-(2,5-dimethoxyphenyl)nicotinonitrile Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=C2C#N)N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=C2C#N)N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H20BrN3O3/c1-4-29-21-7-5-13(23)9-16(21)15-11-19(26-22(25)18(15)12-24)17-10-14(27-2)6-8-20(17)28-3/h5-11H,4H2,1-3H3,(H2,25,26)