4-(4-bromophenyl)-4-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-(4-bromophenyl)-4-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Openeye Name: 4-(4-bromophenyl)-4-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butanamide CAS Name: 4-(4-bromophenyl)-4-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]butanamide IUPAC Name: 4-(4-bromophenyl)-4-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Traditional Name: 4-(4-bromophenyl)-4-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butyramide Formula: C23H17BrN2O2 MolecularWeight: 433.29728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H17BrN2O2/c24-19-10-8-18(9-11-19)22(27)13-14-23(28)26-21-6-3-4-17(16-21)7-12-20-5-1-2-15-25-20/h1-6,8-11,15-16H,13-14H2,(H,26,28)