4-bromanyl-N-[3-methyl-1-oxidanylidene-1-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[3-methyl-1-oxidanylidene-1-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butan-2-yl]benzamide Openeye Name: 4-bromo-N-[2-methyl-1-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]propyl]benzamide CAS Name: 4-bromo-N-[3-methyl-1-oxo-1-[3-[2-(2-pyridinyl)ethynyl]anilino]butan-2-yl]benzamide IUPAC Name: 4-bromo-N-[3-methyl-1-oxo-1-[3-(2-pyridin-2-ylethynyl)anilino]butan-2-yl]benzamide Traditional Name: 4-bromo-N-[2-methyl-1-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]propyl]benzamide Formula: C25H22BrN3O2 MolecularWeight: 476.36508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H22BrN3O2/c1-17(2)23(29-24(30)19-10-12-20(26)13-11-19)25(31)28-22-8-5-6-18(16-22)9-14-21-7-3-4-15-27-21/h3-8,10-13,15-17,23H,1-2H3,(H,28,31)(H,29,30)