3-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,1-dicyclohexyl-urea

Systemtic Name: 3-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,1-dicyclohexyl-urea Openeye Name: 3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,1-dicyclohexyl-urea CAS Name: 3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,1-dicyclohexylurea IUPAC Name: 3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,1-dicyclohexylurea Traditional Name: 3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,1-dicyclohexyl-urea Formula: C21H26ClF3N2O3 MolecularWeight: 446.89095

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H26ClF3N2O3/c22-14-11-12-17-18(13-14)30-21(29-17,20(23,24)25)26-19(28)27(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,26,28)