(E)-1-[3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-1-(3-piperonyloylpiperidino)prop-2-en-1-one Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4/c1-22-11-14(10-21-22)4-7-19(24)23-8-2-3-16(12-23)20(25)15-5-6-17-18(9-15)27-13-26-17/h4-7,9-11,16H,2-3,8,12-13H2,1H3/b7-4+