tert-butyl 4-(cyanomethyl)-3-oxidanylidene-2-(phenylmethyl)-2H-pyrazine-1-carboxylate

Systemtic Name: tert-butyl 4-(cyanomethyl)-3-oxidanylidene-2-(phenylmethyl)-2H-pyrazine-1-carboxylate Openeye Name: tert-butyl 2-benzyl-4-(cyanomethyl)-3-oxo-2H-pyrazine-1-carboxylate CAS Name: 4-(cyanomethyl)-3-oxo-2-(phenylmethyl)-2H-pyrazine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-4-(cyanomethyl)-3-oxo-2H-pyrazine-1-carboxylate Traditional Name: 2-benzyl-4-(cyanomethyl)-3-keto-2H-pyrazine-1-carboxylic acid tert-butyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CN(C(=O)C1CC2=CC=CC=C2)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CN(C(=O)C1CC2=CC=CC=C2)CC#N

InChI

InChI=1S/C18H21N3O3/c1-18(2,3)24-17(23)21-12-11-20(10-9-19)16(22)15(21)13-14-7-5-4-6-8-14/h4-8,11-12,15H,10,13H2,1-3H3