2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-p-phenetyl-nicotinonitrile Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O2/c1-3-27-15-7-4-13(5-8-15)19-11-16(17(12-23)21(24)25-19)14-6-9-20(26-2)18(22)10-14/h4-11H,3H2,1-2H3,(H2,24,25)