4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methylbutanoyl)piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methylbutanoyl)piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methylbutanoyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methyl-1-oxobutyl)-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-methylbutanoyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-isovaleryl-piperazine-2-carboxamide Formula: C26H30ClN7O4 MolecularWeight: 540.0139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C26H30ClN7O4/c1-17(2)11-24(35)34-8-7-32(23-13-22(27)30-26(31-23)33-6-5-28-16-33)15-19(34)25(36)29-14-18-3-4-20-21(12-18)38-10-9-37-20/h3-6,12-13,16-17,19H,7-11,14-15H2,1-2H3,(H,29,36)