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

Systemtic Name: 1-cycloheptyl-1-(phenanthren-2-ylmethyl)-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-cycloheptyl-1-(2-phenanthrylmethyl)-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-cycloheptyl-1-(2-phenanthrenylmethyl)-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-cycloheptyl-1-(phenanthren-2-ylmethyl)-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-cycloheptyl-1-(2-phenanthrylmethyl)-3-(2,4,6-trifluorophenyl)urea Formula: C29H27F3N2O MolecularWeight: 476.53269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C=C3)C(=O)NC5=C(C=C(C=C5F)F)F

Isomeric SMILES

C1CCCC(CC1)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C=C3)C(=O)NC5=C(C=C(C=C5F)F)F

InChI

InChI=1S/C29H27F3N2O/c30-22-16-26(31)28(27(32)17-22)33-29(35)34(23-8-3-1-2-4-9-23)18-19-11-14-25-21(15-19)13-12-20-7-5-6-10-24(20)25/h5-7,10-17,23H,1-4,8-9,18H2,(H,33,35)