1-[3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Openeye Name: 1-[3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one CAS Name: 1-[3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Traditional Name: 1-(3-piperonyloylpiperidino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4/c1-14-18(15(2)24(3)23-14)7-9-21(26)25-10-4-5-17(12-25)22(27)16-6-8-19-20(11-16)29-13-28-19/h6,8,11,17H,4-5,7,9-10,12-13H2,1-3H3