(3R)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C22H16N2O3/c25-22(21-15-26-19-9-1-2-10-20(19)27-21)24-18-8-5-6-16(14-18)11-12-17-7-3-4-13-23-17/h1-10,13-14,21H,15H2,(H,24,25)/t21-/m1/s1