2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(3-pyridinyl)-1-piperidinyl]methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(3-pyridyl)piperidino]methyl]oxazole Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCCC[C@H]4C5=CN=CC=C5

InChI

InChI=1S/C22H22ClN3O3/c1-14-18(12-26-8-3-2-6-19(26)15-5-4-7-24-11-15)25-22(29-14)16-9-20-21(10-17(16)23)28-13-27-20/h4-5,7,9-11,19H,2-3,6,8,12-13H2,1H3/t19-/m0/s1