5-chloranyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H15ClN2O3 MolecularWeight: 390.8191

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C22H15ClN2O3/c23-19-13-16(14-20-21(19)28-11-10-27-20)22(26)25-18-6-3-4-15(12-18)7-8-17-5-1-2-9-24-17/h1-6,9,12-14H,10-11H2,(H,25,26)