3-[4-(2-ethoxy-4-fluoranyl-phenyl)piperazin-1-yl]-N-(oxidanylideneboranylmethyl)propan-1-amine

Systemtic Name: 3-[4-(2-ethoxy-4-fluoranyl-phenyl)piperazin-1-yl]-N-(oxidanylideneboranylmethyl)propan-1-amine Openeye Name: 3-[4-(2-ethoxy-4-fluoro-phenyl)piperazin-1-yl]-N-(oxoboranylmethyl)propan-1-amine CAS Name: 3-[4-(2-ethoxy-4-fluorophenyl)-1-piperazinyl]-N-(oxoboranylmethyl)-1-propanamine IUPAC Name: 3-[4-(2-ethoxy-4-fluorophenyl)piperazin-1-yl]-N-(oxoboranylmethyl)propan-1-amine Traditional Name: 3-[4-(2-ethoxy-4-fluoro-phenyl)piperazino]propyl-(ketoboranylmethyl)amine Formula: C16H25BFN3O2 MolecularWeight: 321.198003

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNCCCN1CCN(CC1)C2=C(C=C(C=C2)F)OCC

Isomeric SMILES

B(=O)CNCCCN1CCN(CC1)C2=C(C=C(C=C2)F)OCC

InChI

InChI=1S/C16H25BFN3O2/c1-2-23-16-12-14(18)4-5-15(16)21-10-8-20(9-11-21)7-3-6-19-13-17-22/h4-5,12,19H,2-3,6-11,13H2,1H3