[2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]carbamoyl]azepan-3-yl]carbamic acid

Systemtic Name: [2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]carbamoyl]azepan-3-yl]carbamic acid Openeye Name: [2-oxo-1-[[4-(trifluoromethyl)phenyl]carbamoyl]azepan-3-yl]carbamic acid CAS Name: [2-oxo-1-[oxo-[4-(trifluoromethyl)anilino]methyl]-3-azepanyl]carbamic acid IUPAC Name: [2-oxo-1-[[4-(trifluoromethyl)phenyl]carbamoyl]azepan-3-yl]carbamic acid Traditional Name: [2-keto-1-[[4-(trifluoromethyl)phenyl]carbamoyl]azepan-3-yl]carbamic acid Formula: C15H16F3N3O4 MolecularWeight: 359.30045

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)O)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)O)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H16F3N3O4/c16-15(17,18)9-4-6-10(7-5-9)19-13(23)21-8-2-1-3-11(12(21)22)20-14(24)25/h4-7,11,20H,1-3,8H2,(H,19,23)(H,24,25)