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

Systemtic Name: 1-(anthracen-9-ylmethyl)-1-cycloheptyl-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-(9-anthrylmethyl)-1-cycloheptyl-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-(9-anthracenylmethyl)-1-cycloheptyl-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-(anthracen-9-ylmethyl)-1-cycloheptyl-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-(9-anthrylmethyl)-1-cycloheptyl-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=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC5=C(C=C(C=C5F)F)F

Isomeric SMILES

C1CCCC(CC1)N(CC2=C3C=CC=CC3=CC4=CC=CC=C42)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(22-11-3-1-2-4-12-22)18-25-23-13-7-5-9-19(23)15-20-10-6-8-14-24(20)25/h5-10,13-17,22H,1-4,11-12,18H2,(H,33,35)