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

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H18N2O3 MolecularWeight: 370.40062

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)OC1

InChI

InChI=1S/C23H18N2O3/c26-23(18-9-11-21-22(16-18)28-14-4-13-27-21)25-20-7-3-5-17(15-20)8-10-19-6-1-2-12-24-19/h1-3,5-7,9,11-12,15-16H,4,13-14H2,(H,25,26)