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

Systemtic Name: 1-cycloheptyl-1-(phenanthren-1-ylmethyl)-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-cycloheptyl-1-(1-phenanthrylmethyl)-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-cycloheptyl-1-(1-phenanthrenylmethyl)-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-cycloheptyl-1-(phenanthren-1-ylmethyl)-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-cycloheptyl-1-(1-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=CC=CC3=C2C=CC4=CC=CC=C43)C(=O)NC5=C(C=C(C=C5F)F)F

Isomeric SMILES

C1CCCC(CC1)N(CC2=CC=CC3=C2C=CC4=CC=CC=C43)C(=O)NC5=C(C=C(C=C5F)F)F

InChI

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