N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(3-methyl-1-oxobutyl)-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-1-isovaleryl-N-piperonyl-piperazine-2-carboxamide Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C25H29N7O4/c1-17(2)11-23(33)32-10-9-30(22-5-6-27-25(29-22)31-8-7-26-15-31)14-19(32)24(34)28-13-18-3-4-20-21(12-18)36-16-35-20/h3-8,12,15,17,19H,9-11,13-14,16H2,1-2H3,(H,28,34)