3-bromanyl-N-[2-(3,4-dimethylphenoxy)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Systemtic Name: 3-bromanyl-N-[2-(3,4-dimethylphenoxy)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Openeye Name: 3-bromo-N-[2-(3,4-dimethylphenoxy)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide CAS Name: 3-bromo-N-[2-(3,4-dimethylphenoxy)ethyl]-6-(1,2,4-triazol-4-yl)-2-pyridinecarboxamide IUPAC Name: 3-bromo-N-[2-(3,4-dimethylphenoxy)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Traditional Name: 3-bromo-N-[2-(3,4-dimethylphenoxy)ethyl]-6-(1,2,4-triazol-4-yl)picolinamide Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCNC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br)C

InChI

InChI=1S/C18H18BrN5O2/c1-12-3-4-14(9-13(12)2)26-8-7-20-18(25)17-15(19)5-6-16(23-17)24-10-21-22-11-24/h3-6,9-11H,7-8H2,1-2H3,(H,20,25)