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

Systemtic Name: (E)-1-[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-3-(4-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-3-pyridin-4-yl-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-piperonyloylpiperidino]-3-(4-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=NC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4/c24-20(6-3-15-7-9-22-10-8-15)23-11-1-2-17(13-23)21(25)16-4-5-18-19(12-16)27-14-26-18/h3-10,12,17H,1-2,11,13-14H2/b6-3+/t17-/m0/s1