(3S,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-(benzofurazan-4-ylmethyl)-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CN(CC2O)CC3=CC=CC4=NON=C43)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1[C@H]2CN(C[C@@H]2O)CC3=CC=CC4=NON=C43)C5=CC=CC=N5

InChI

InChI=1S/C20H24N6O2/c27-18-14-24(12-15-4-3-5-16-20(15)23-28-22-16)13-17(18)25-8-10-26(11-9-25)19-6-1-2-7-21-19/h1-7,17-18,27H,8-14H2/t17-,18-/m0/s1