1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide

Systemtic Name: 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide Openeye Name: 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide CAS Name: 1-[6-(1-imidazolyl)-4-pyrimidinyl]-4-(3-methyl-1-oxobutyl)-N-(2-phenylcyclopropyl)-2-piperazinecarboxamide IUPAC Name: 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide Traditional Name: 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-isovaleryl-N-(2-phenylcyclopropyl)piperazine-2-carboxamide Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(C(C1)C(=O)NC2CC2C3=CC=CC=C3)C4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

CC(C)CC(=O)N1CCN(C(C1)C(=O)NC2CC2C3=CC=CC=C3)C4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C26H31N7O2/c1-18(2)12-25(34)31-10-11-33(24-14-23(28-16-29-24)32-9-8-27-17-32)22(15-31)26(35)30-21-13-20(21)19-6-4-3-5-7-19/h3-9,14,16-18,20-22H,10-13,15H2,1-2H3,(H,30,35)