1-[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-3-pyrazin-2-yl-propan-1-one CAS Name: 1-[(3S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 1-[(3S)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-piperonyloylpiperidino]-3-pyrazin-2-yl-propan-1-one Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=NC=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=NC=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4/c24-19(6-4-16-11-21-7-8-22-16)23-9-1-2-15(12-23)20(25)14-3-5-17-18(10-14)27-13-26-17/h3,5,7-8,10-11,15H,1-2,4,6,9,12-13H2/t15-/m0/s1