N-(1,3-benzodioxol-5-yl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexanecarboxamide Formula: C22H22F3N3O4 MolecularWeight: 449.42299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O4/c23-22(24,25)14-4-6-15(7-5-14)27-20(30)28-21(10-2-1-3-11-21)19(29)26-16-8-9-17-18(12-16)32-13-31-17/h4-9,12H,1-3,10-11,13H2,(H,26,29)(H2,27,28,30)