5-bromanyl-N-(2-ethyl-6-methyl-phenyl)-2,6-dimethyl-4-oxidanylidene-1-prop-2-ynyl-pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(2-ethyl-6-methyl-phenyl)-2,6-dimethyl-4-oxidanylidene-1-prop-2-ynyl-pyridine-3-carboxamide Openeye Name: 5-bromo-N-(2-ethyl-6-methyl-phenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynyl-pyridine-3-carboxamide CAS Name: 5-bromo-N-(2-ethyl-6-methylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynyl-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(2-ethyl-6-methylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide Traditional Name: 5-bromo-N-(2-ethyl-6-methyl-phenyl)-4-keto-2,6-dimethyl-1-propargyl-nicotinamide Formula: C20H21BrN2O2 MolecularWeight: 401.29694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(N(C(=C(C2=O)Br)C)CC#C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(N(C(=C(C2=O)Br)C)CC#C)C)C

InChI

InChI=1S/C20H21BrN2O2/c1-6-11-23-13(4)16(19(24)17(21)14(23)5)20(25)22-18-12(3)9-8-10-15(18)7-2/h1,8-10H,7,11H2,2-5H3,(H,22,25)