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

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(2-pyridyl)-1-piperidyl]methyl]oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(2-pyridinyl)-1-piperidinyl]methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(2-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=CC=CC=N5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCCC[C@H]4C5=CC=CC=N5

InChI

InChI=1S/C22H22ClN3O3/c1-14-18(12-26-9-5-3-7-19(26)17-6-2-4-8-24-17)25-22(29-14)15-10-20-21(11-16(15)23)28-13-27-20/h2,4,6,8,10-11,19H,3,5,7,9,12-13H2,1H3/t19-/m0/s1