4-[(3-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 4-(3-bromoanilino)-5-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-5-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C20H16BrN3O2 MolecularWeight: 410.26394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C20H16BrN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24)