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

Systemtic Name: tert-butyl (2R,5S)-5-methyl-6-oxidanylidene-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-pyrazine-1-carboxylate Openeye Name: tert-butyl (2R,5S)-2-isopropyl-5-methyl-6-oxo-3-phenyl-5-prop-2-ynyl-2H-pyrazine-1-carboxylate CAS Name: (2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-pyrazine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-5-prop-2-ynyl-2H-pyrazine-1-carboxylate Traditional Name: (2R,5S)-2-isopropyl-6-keto-5-methyl-3-phenyl-5-propargyl-2H-pyrazine-1-carboxylic acid tert-butyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-8-14-22(7)19(25)24(20(26)27-21(4,5)6)18(15(2)3)17(23-22)16-12-10-9-11-13-16/h1,9-13,15,18H,14H2,2-7H3/t18-,22+/m1/s1