N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-pyrimidin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethyl-1-pyrazolyl)-5-ethyl-4-methyl-6-oxo-1-pyrimidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetamide Traditional Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-keto-4-methyl-pyrimidin-1-yl]-N-piperonyl-acetamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC(=O)NCC2=CC3=C(C=C2)OCO3)N4C(=CC(=N4)C)C)C

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC(=O)NCC2=CC3=C(C=C2)OCO3)N4C(=CC(=N4)C)C)C

InChI

InChI=1S/C22H25N5O4/c1-5-17-15(4)24-22(27-14(3)8-13(2)25-27)26(21(17)29)11-20(28)23-10-16-6-7-18-19(9-16)31-12-30-18/h6-9H,5,10-12H2,1-4H3,(H,23,28)