5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-2,1,3-benzoxadiazole

Systemtic Name: 5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-2,1,3-benzoxadiazole Openeye Name: 5-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-yl]methyl]-2,1,3-benzoxadiazole CAS Name: 5-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl]methyl]-2,1,3-benzoxadiazole IUPAC Name: 5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-2,1,3-benzoxadiazole Traditional Name: 5-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidino]methyl]benzofurazan Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(C2)CC3=CC4=NON=C4C=C3)C5=NC=CC=N5

Isomeric SMILES

C1CN(C[C@H]1C2CCN(CC2)C3=NC=CC=N3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C20H24N6O/c1-7-21-20(22-8-1)26-10-5-16(6-11-26)17-4-9-25(14-17)13-15-2-3-18-19(12-15)24-27-23-18/h1-3,7-8,12,16-17H,4-6,9-11,13-14H2/t17-/m0/s1