4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-1-(3-methylbutanoyl)piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-1-(3-methylbutanoyl)piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(3-chloro-4-methoxy-phenyl)ethyl]-1-(3-methylbutanoyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-(3-methyl-1-oxobutyl)-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-(3-methylbutanoyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(3-chloro-4-methoxy-phenyl)ethyl]-1-isovaleryl-piperazine-2-carboxamide Formula: C26H31Cl2N7O3 MolecularWeight: 560.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1C(=O)NCCC2=CC(=C(C=C2)OC)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1C(=O)NCCC2=CC(=C(C=C2)OC)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C26H31Cl2N7O3/c1-17(2)12-24(36)35-11-10-33(23-14-22(28)31-26(32-23)34-9-8-29-16-34)15-20(35)25(37)30-7-6-18-4-5-21(38-3)19(27)13-18/h4-5,8-9,13-14,16-17,20H,6-7,10-12,15H2,1-3H3,(H,30,37)