1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C26H21N3O4/c30-25-15-19(17-29(25)22-9-10-23-24(16-22)33-13-12-32-23)26(31)28-21-6-3-4-18(14-21)7-8-20-5-1-2-11-27-20/h1-6,9-11,14,16,19H,12-13,15,17H2,(H,28,31)