N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-(3-methylbutanoyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-(3-methylbutanoyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-(3-methylbutanoyl)piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-(3-methyl-1-oxobutyl)-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazine-2-carboxamide Traditional Name: 1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-isovaleryl-N-piperonyl-piperazine-2-carboxamide Formula: C28H35N7O4 MolecularWeight: 533.622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CC(C)CC(=O)N1CCN(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C28H35N7O4/c1-18(2)11-26(36)33-9-10-35(25-13-21(19(3)4)31-28(32-25)34-8-7-29-16-34)22(15-33)27(37)30-14-20-5-6-23-24(12-20)39-17-38-23/h5-8,12-13,16,18-19,22H,9-11,14-15,17H2,1-4H3,(H,30,37)