N-[2-fluoranyl-6-(trifluoromethyl)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2-fluoranyl-6-(trifluoromethyl)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-(2-furylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-(2-furanylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-[2-fluoro-6-(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=C(C=CC=C2F)C(F)(F)F)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=C(C=CC=C2F)C(F)(F)F)CC3=CC=CO3

InChI

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