1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C25H19N3O4/c29-24-13-18(15-28(24)21-9-10-22-23(14-21)32-16-31-22)25(30)27-20-6-3-4-17(12-20)7-8-19-5-1-2-11-26-19/h1-6,9-12,14,18H,13,15-16H2,(H,27,30)