1-[2,4-bis(fluoranyl)phenyl]-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea Openeye Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1-(2,4-difluorophenyl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-(2,4-difluorophenyl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea IUPAC Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-(2,4-difluorophenyl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-benzyl)-1-(2,4-difluorophenyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)urea Formula: C33H40F2N2O2 MolecularWeight: 534.679706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(=O)N(C2CCCC3=CC=CC=C3C2)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(=O)N(C2CCCC3=CC=CC=C3C2)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C33H40F2N2O2/c1-32(2,3)26-16-21(17-27(30(26)38)33(4,5)6)20-36-31(39)37(29-15-14-24(34)19-28(29)35)25-13-9-12-22-10-7-8-11-23(22)18-25/h7-8,10-11,14-17,19,25,38H,9,12-13,18,20H2,1-6H3,(H,36,39)