(2R)-1-(1-adamantylcarbonyl)-N-(4-bromanyl-2-fluoranyl-phenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1-adamantylcarbonyl)-N-(4-bromanyl-2-fluoranyl-phenyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(adamantane-1-carbonyl)-N-(4-bromo-2-fluoro-phenyl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-N-(4-bromo-2-fluorophenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(adamantane-1-carbonyl)-N-(4-bromo-2-fluorophenyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(adamantane-1-carbonyl)-N-(4-bromo-2-fluoro-phenyl)pyrrolidine-2-carboxamide Formula: C22H26BrFN2O2 MolecularWeight: 449.356443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C22H26BrFN2O2/c23-16-3-4-18(17(24)9-16)25-20(27)19-2-1-5-26(19)21(28)22-10-13-6-14(11-22)8-15(7-13)12-22/h3-4,9,13-15,19H,1-2,5-8,10-12H2,(H,25,27)/t13?,14?,15?,19-,22?/m1/s1