tert-butyl (2R,5S)-5-(2-cyanoethyl)-5-methyl-6-oxidanylidene-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate

Systemtic Name: tert-butyl (2R,5S)-5-(2-cyanoethyl)-5-methyl-6-oxidanylidene-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate Openeye Name: tert-butyl (2R,5S)-5-(2-cyanoethyl)-2-isopropyl-5-methyl-6-oxo-3-phenyl-2H-pyrazine-1-carboxylate CAS Name: (2R,5S)-5-(2-cyanoethyl)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,5S)-5-(2-cyanoethyl)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate Traditional Name: (2R,5S)-5-(2-cyanoethyl)-2-isopropyl-6-keto-5-methyl-3-phenyl-2H-pyrazine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=NC(C(=O)N1C(=O)OC(C)(C)C)(C)CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H]1C(=N[C@@](C(=O)N1C(=O)OC(C)(C)C)(C)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O3/c1-15(2)18-17(16-11-8-7-9-12-16)24-22(6,13-10-14-23)19(26)25(18)20(27)28-21(3,4)5/h7-9,11-12,15,18H,10,13H2,1-6H3/t18-,22+/m1/s1