(4-methoxyphenyl) 4-(6-imidazol-1-ylpyrimidin-4-yl)-3-[(3-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 4-(6-imidazol-1-ylpyrimidin-4-yl)-3-[(3-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Openeye Name: (4-methoxyphenyl) 4-(6-imidazol-1-ylpyrimidin-4-yl)-3-[(3-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[6-(1-imidazolyl)-4-pyrimidinyl]-3-[[(3-methoxyphenyl)methylamino]-oxomethyl]-1-piperazinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-(6-imidazol-1-ylpyrimidin-4-yl)-3-[(3-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-3-(m-anisylcarbamoyl)piperazine-1-carboxylic acid (4-methoxyphenyl) ester Formula: C28H29N7O5 MolecularWeight: 543.57376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N2CCN(C(C2)C(=O)NCC3=CC(=CC=C3)OC)C4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N2CCN(C(C2)C(=O)NCC3=CC(=CC=C3)OC)C4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C28H29N7O5/c1-38-21-6-8-22(9-7-21)40-28(37)33-12-13-35(26-15-25(31-18-32-26)34-11-10-29-19-34)24(17-33)27(36)30-16-20-4-3-5-23(14-20)39-2/h3-11,14-15,18-19,24H,12-13,16-17H2,1-2H3,(H,30,36)