4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(2-phenoxyethanoyl)piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(2-phenoxyethanoyl)piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[(4-methoxyphenyl)methyl]-1-(1-oxo-2-phenoxyethyl)-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-p-anisyl-1-(2-phenoxyacetyl)piperazine-2-carboxamide Formula: C28H28ClN7O4 MolecularWeight: 562.01942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)COC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)COC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C28H28ClN7O4/c1-39-21-9-7-20(8-10-21)16-31-27(38)23-17-34(25-15-24(29)32-28(33-25)35-12-11-30-19-35)13-14-36(23)26(37)18-40-22-5-3-2-4-6-22/h2-12,15,19,23H,13-14,16-18H2,1H3,(H,31,38)