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

Systemtic Name: (phenylmethyl) 4-[(4-imidazol-1-ylphenyl)methyl]-3-oxidanylidene-2-propan-2-yl-2H-pyrazine-1-carboxylate Openeye Name: benzyl 4-[(4-imidazol-1-ylphenyl)methyl]-2-isopropyl-3-oxo-2H-pyrazine-1-carboxylate CAS Name: 4-[[4-(1-imidazolyl)phenyl]methyl]-3-oxo-2-propan-2-yl-2H-pyrazine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-propan-2-yl-2H-pyrazine-1-carboxylate Traditional Name: 4-(4-imidazol-1-ylbenzyl)-2-isopropyl-3-keto-2H-pyrazine-1-carboxylic acid benzyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C=CN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC(C)C1C(=O)N(C=CN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C25H26N4O3/c1-19(2)23-24(30)27(16-20-8-10-22(11-9-20)28-13-12-26-18-28)14-15-29(23)25(31)32-17-21-6-4-3-5-7-21/h3-15,18-19,23H,16-17H2,1-2H3