N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2,5-dimethyl-2-oxidanyl-hex-3-ynoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2,5-dimethyl-2-oxidanyl-hex-3-ynoyl)pyrrolidine-2-carboxamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-(2-hydroxy-2,5-dimethyl-hex-3-ynoyl)pyrrolidine-2-carboxamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxy-2,5-dimethyl-1-oxohex-3-ynyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxy-2,5-dimethylhex-3-ynoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-1-(2-hydroxy-2,5-dimethyl-hex-3-ynoyl)pyrrolidine-2-carboxamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC(C)(C(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)CN)O

Isomeric SMILES

CC(C)C#CC(C)(C(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)CN)O

InChI

InChI=1S/C21H28ClN3O3/c1-14(2)8-9-21(3,28)20(27)25-10-4-5-18(25)19(26)24-13-16-11-17(22)7-6-15(16)12-23/h6-7,11,14,18,28H,4-5,10,12-13,23H2,1-3H3,(H,24,26)