5-piperidin-4-yl-4-pyridin-3-yl-1,2-oxazol-3-one dihydrobromide

Systemtic Name: 5-piperidin-4-yl-4-pyridin-3-yl-1,2-oxazol-3-one dihydrobromide Openeye Name: 5-(4-piperidyl)-4-(3-pyridyl)isoxazol-3-one dihydrobromide CAS Name: 5-(4-piperidinyl)-4-(3-pyridinyl)-3-isoxazolone dihydrobromide IUPAC Name: 5-piperidin-4-yl-4-pyridin-3-yl-1,2-oxazol-3-one dihydrobromide Traditional Name: 5-(4-piperidyl)-4-(3-pyridyl)-4-isoxazolin-3-one dihydrobromide Formula: C13H17Br2N3O2 MolecularWeight: 407.10098

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=O)NO2)C3=CN=CC=C3.Br.Br

Isomeric SMILES

C1CNCCC1C2=C(C(=O)NO2)C3=CN=CC=C3.Br.Br

InChI

InChI=1S/C13H15N3O2.2BrH/c17-13-11(10-2-1-5-15-8-10)12(18-16-13)9-3-6-14-7-4-9;;/h1-2,5,8-9,14H,3-4,6-7H2,(H,16,17);2*1H