(phenylmethyl) (2S)-4-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-2-(phenylmethyl)-2H-pyrazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-4-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-2-(phenylmethyl)-2H-pyrazine-1-carboxylate Openeye Name: benzyl (2S)-2-benzyl-4-(1H-imidazol-5-ylmethyl)-3-oxo-2H-pyrazine-1-carboxylate CAS Name: (2S)-4-(1H-imidazol-5-ylmethyl)-3-oxo-2-(phenylmethyl)-2H-pyrazine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-benzyl-4-(1H-imidazol-5-ylmethyl)-3-oxo-2H-pyrazine-1-carboxylate Traditional Name: (2S)-2-benzyl-4-(1H-imidazol-5-ylmethyl)-3-keto-2H-pyrazine-1-carboxylic acid benzyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(C=CN2C(=O)OCC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)C[C@H]2C(=O)N(C=CN2C(=O)OCC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C23H22N4O3/c28-22-21(13-18-7-3-1-4-8-18)27(12-11-26(22)15-20-14-24-17-25-20)23(29)30-16-19-9-5-2-6-10-19/h1-12,14,17,21H,13,15-16H2,(H,24,25)/t21-/m0/s1