(phenylmethyl) 4-[imidazol-1-yl(phenyl)methyl]-2-oxidanylidene-3-(phenylmethyl)-1,3-dihydropyrazin-4-ium-4-carboxylate

Systemtic Name: (phenylmethyl) 4-[imidazol-1-yl(phenyl)methyl]-2-oxidanylidene-3-(phenylmethyl)-1,3-dihydropyrazin-4-ium-4-carboxylate Openeye Name: benzyl 3-benzyl-4-[imidazol-1-yl(phenyl)methyl]-2-oxo-1,3-dihydropyrazin-4-ium-4-carboxylate CAS Name: 4-[1-imidazolyl(phenyl)methyl]-2-oxo-3-(phenylmethyl)-1,3-dihydropyrazin-4-ium-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-benzyl-4-[imidazol-1-yl(phenyl)methyl]-2-oxo-1,3-dihydropyrazin-4-ium-4-carboxylate Traditional Name: 3-benzyl-4-[imidazol-1-yl(phenyl)methyl]-2-keto-1,3-dihydropyrazin-4-ium-4-carboxylic acid benzyl ester Formula: C29H27N4O3+ MolecularWeight: 479.54968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC=C[N+]2(C(C3=CC=CC=C3)N4C=CN=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC=C[N+]2(C(C3=CC=CC=C3)N4C=CN=C4)C(=O)OCC5=CC=CC=C5

InChI

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