1-(1-adamantylcarbonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-adamantylcarbonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-2-carboxamide Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C#CC6=CC=CC=N6

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C#CC6=CC=CC=N6

InChI

InChI=1S/C29H31N3O2/c33-27(31-25-7-3-5-20(16-25)9-10-24-6-1-2-11-30-24)26-8-4-12-32(26)28(34)29-17-21-13-22(18-29)15-23(14-21)19-29/h1-3,5-7,11,16,21-23,26H,4,8,12-15,17-19H2,(H,31,33)