(phenylmethyl) 4-(2-imidazol-1-ylpyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-imidazol-1-ylpyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Openeye Name: benzyl 4-(2-imidazol-1-ylpyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[2-(1-imidazolyl)-4-pyrimidinyl]-2-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-imidazol-1-ylpyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-2-(p-anisylcarbamoyl)piperazine-1-carboxylic acid benzyl ester Formula: C28H29N7O4 MolecularWeight: 527.57436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C28H29N7O4/c1-38-23-9-7-21(8-10-23)17-31-26(36)24-18-33(25-11-12-30-27(32-25)34-14-13-29-20-34)15-16-35(24)28(37)39-19-22-5-3-2-4-6-22/h2-14,20,24H,15-19H2,1H3,(H,31,36)