N-(1-adamantyl)-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide Openeye Name: N-(1-adamantyl)-3-phenyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxamide CAS Name: N-(1-adamantyl)-3-phenyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide Traditional Name: N-(1-adamantyl)-3-phenyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=NC5=C4C(=NO5)C6=CC=CC=C6)C7=CC=CS7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=NC5=C4C(=NO5)C6=CC=CC=C6)C7=CC=CS7

InChI

InChI=1S/C27H25N3O2S/c31-25(29-27-13-16-9-17(14-27)11-18(10-16)15-27)20-12-21(22-7-4-8-33-22)28-26-23(20)24(30-32-26)19-5-2-1-3-6-19/h1-8,12,16-18H,9-11,13-15H2,(H,29,31)