N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(2-furylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(2-furanylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(2-furfuryl)-1,4-diazepane-1-carboxamide Formula: C18H19F4N3O2 MolecularWeight: 385.355973

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)CC3=CC=CO3

InChI

InChI=1S/C18H19F4N3O2/c19-16-5-4-13(11-15(16)18(20,21)22)23-17(26)25-7-2-6-24(8-9-25)12-14-3-1-10-27-14/h1,3-5,10-11H,2,6-9,12H2,(H,23,26)