1-cyclohexyl-1-(phenanthren-9-ylmethyl)-3-[2,4,6-tris(fluoranyl)phenyl]urea

Systemtic Name: 1-cyclohexyl-1-(phenanthren-9-ylmethyl)-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-cyclohexyl-1-(9-phenanthrylmethyl)-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-cyclohexyl-1-(9-phenanthrenylmethyl)-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-cyclohexyl-1-(phenanthren-9-ylmethyl)-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-cyclohexyl-1-(9-phenanthrylmethyl)-3-(2,4,6-trifluorophenyl)urea Formula: C28H25F3N2O MolecularWeight: 462.50611

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)NC5=C(C=C(C=C5F)F)F

Isomeric SMILES

C1CCC(CC1)N(CC2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)NC5=C(C=C(C=C5F)F)F

InChI

InChI=1S/C28H25F3N2O/c29-20-15-25(30)27(26(31)16-20)32-28(34)33(21-9-2-1-3-10-21)17-19-14-18-8-4-5-11-22(18)24-13-7-6-12-23(19)24/h4-8,11-16,21H,1-3,9-10,17H2,(H,32,34)