5-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2-pyrrolidino-benzamide Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C24H20N4O3/c29-24(22-17-21(28(30)31)11-12-23(22)27-14-3-4-15-27)26-20-8-5-6-18(16-20)9-10-19-7-1-2-13-25-19/h1-2,5-8,11-13,16-17H,3-4,14-15H2,(H,26,29)