2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3,4-dimethylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-(3,4-dimethylphenyl)nicotinonitrile Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=C(C=CC(=C3)Br)OC)C#N)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=C(C=CC(=C3)Br)OC)C#N)N)C

InChI

InChI=1S/C21H18BrN3O/c1-12-4-5-14(8-13(12)2)19-10-16(18(11-23)21(24)25-19)17-9-15(22)6-7-20(17)26-3/h4-10H,1-3H3,(H2,24,25)