N-(1-adamantylmethyl)-5-chloranyl-2-(3-oxidanylprop-1-ynyl)pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-(3-oxidanylprop-1-ynyl)pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-(3-hydroxyprop-1-ynyl)-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-(3-hydroxyprop-1-ynyl)isonicotinamide Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=NC(=C4)C#CCO)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=NC(=C4)C#CCO)Cl

InChI

InChI=1S/C20H23ClN2O2/c21-18-11-22-16(2-1-3-24)7-17(18)19(25)23-12-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,11,13-15,24H,3-6,8-10,12H2,(H,23,25)