ethyl 3-[2-[4-(1,3-benzodioxol-5-ylcarbonylamino)pyrazol-1-yl]ethanoylamino]-5-methyl-hexanoate

Systemtic Name: ethyl 3-[2-[4-(1,3-benzodioxol-5-ylcarbonylamino)pyrazol-1-yl]ethanoylamino]-5-methyl-hexanoate Openeye Name: ethyl 3-[[2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]acetyl]amino]-5-methyl-hexanoate CAS Name: 3-[[2-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-pyrazolyl]-1-oxoethyl]amino]-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]acetyl]amino]-5-methylhexanoate Traditional Name: 5-methyl-3-[[2-[4-(piperonyloylamino)pyrazol-1-yl]acetyl]amino]hexanoic acid ethyl ester Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C)C)NC(=O)CN1C=C(C=N1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CC(CC(C)C)NC(=O)CN1C=C(C=N1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H28N4O6/c1-4-30-21(28)9-16(7-14(2)3)24-20(27)12-26-11-17(10-23-26)25-22(29)15-5-6-18-19(8-15)32-13-31-18/h5-6,8,10-11,14,16H,4,7,9,12-13H2,1-3H3,(H,24,27)(H,25,29)