5-[4,4-bis(4-fluorophenyl)butyl]-N-ethyl-1,2,5-triazepane-1-carboxamide

Systemtic Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-ethyl-1,2,5-triazepane-1-carboxamide Openeye Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-ethyl-1,2,5-triazepane-1-carboxamide CAS Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-ethyl-1,2,5-triazepane-1-carboxamide IUPAC Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-ethyl-1,2,5-triazepane-1-carboxamide Traditional Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-ethyl-1,2,5-triazepane-1-carboxamide Formula: C23H30F2N4O MolecularWeight: 416.507306

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CCN1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=O)N1CCN(CCN1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30F2N4O/c1-2-26-23(30)29-17-16-28(15-13-27-29)14-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22,27H,2-4,13-17H2,1H3,(H,26,30)