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

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-(4-phenoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-(4-phenoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-phenoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-phenoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-(4-phenoxyphenyl)nicotinonitrile Formula: C25H18BrN3O2 MolecularWeight: 472.33332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)OC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)OC4=CC=CC=C4)Br

InChI

InChI=1S/C25H18BrN3O2/c1-30-24-12-9-17(13-22(24)26)20-14-23(29-25(28)21(20)15-27)16-7-10-19(11-8-16)31-18-5-3-2-4-6-18/h2-14H,1H3,(H2,28,29)