2-[4-(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane

Systemtic Name: 2-[4-(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 2-[4-(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane CAS Name: 2-[4-(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 2-[4-(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane Formula: C15H23F3N4 MolecularWeight: 316.36513

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(CNCCN1)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CNCCNC(CNCCN1)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H23F3N4/c16-15(17,18)13-3-1-12(2-4-13)14-11-21-8-7-19-5-6-20-9-10-22-14/h1-4,14,19-22H,5-11H2