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

Systemtic Name: (E)-1-[3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: (E)-1-(3-piperonyloylpiperidino)-3-(2-pyridyl)prop-2-en-1-one Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4/c24-20(9-7-17-5-1-2-10-22-17)23-11-3-4-16(13-23)21(25)15-6-8-18-19(12-15)27-14-26-18/h1-2,5-10,12,16H,3-4,11,13-14H2/b9-7+