tert-butyl N-[(2S)-1-(2-cyanoethylamino)-5-(2-fluorophenyl)-1-oxidanylidene-pent-4-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(2-cyanoethylamino)-5-(2-fluorophenyl)-1-oxidanylidene-pent-4-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(2-cyanoethylcarbamoyl)-4-(2-fluorophenyl)but-3-ynyl]carbamate CAS Name: N-[(2S)-1-(2-cyanoethylamino)-5-(2-fluorophenyl)-1-oxopent-4-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-cyanoethylamino)-5-(2-fluorophenyl)-1-oxopent-4-yn-2-yl]carbamate Traditional Name: N-[(1S)-1-(2-cyanoethylcarbamoyl)-4-(2-fluorophenyl)but-3-ynyl]carbamic acid tert-butyl ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=CC=C1F)C(=O)NCCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#CC1=CC=CC=C1F)C(=O)NCCC#N

InChI

InChI=1S/C19H22FN3O3/c1-19(2,3)26-18(25)23-16(17(24)22-13-7-12-21)11-6-9-14-8-4-5-10-15(14)20/h4-5,8,10,16H,7,11,13H2,1-3H3,(H,22,24)(H,23,25)/t16-/m0/s1