(phenylmethyl) 4-[(4-imidazol-1-ylphenyl)methyl]-3-oxidanylidene-2-(phenylmethyl)-2H-pyrazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-imidazol-1-ylphenyl)methyl]-3-oxidanylidene-2-(phenylmethyl)-2H-pyrazine-1-carboxylate Openeye Name: benzyl 2-benzyl-4-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2H-pyrazine-1-carboxylate CAS Name: 4-[[4-(1-imidazolyl)phenyl]methyl]-3-oxo-2-(phenylmethyl)-2H-pyrazine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-4-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2H-pyrazine-1-carboxylate Traditional Name: 2-benzyl-4-(4-imidazol-1-ylbenzyl)-3-keto-2H-pyrazine-1-carboxylic acid benzyl ester Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(C=CN2C(=O)OCC3=CC=CC=C3)CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(C=CN2C(=O)OCC3=CC=CC=C3)CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C29H26N4O3/c34-28-27(19-23-7-3-1-4-8-23)33(29(35)36-21-25-9-5-2-6-10-25)18-17-31(28)20-24-11-13-26(14-12-24)32-16-15-30-22-32/h1-18,22,27H,19-21H2