(1R,5S)-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-9-ethanoyl-7-[4-[3-[2,3,6-tris(fluoranyl)phenoxy]propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1R,5S)-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-9-ethanoyl-7-[4-[3-[2,3,6-tris(fluoranyl)phenoxy]propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1R,5S)-9-acetyl-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1R,5S)-9-acetyl-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1R,5S)-9-acetyl-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1R,5S)-9-acetyl-N-(2-chlorobenzyl)-N-cyclopropyl-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C35H35ClF3N3O3 MolecularWeight: 638.11891

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2CC(=C(C1CNC2)C(=O)N(CC3=CC=CC=C3Cl)C4CC4)C5=CC=C(C=C5)CCCOC6=C(C=CC(=C6F)F)F

Isomeric SMILES

CC(=O)N1[C@@H]2CC(=C([C@H]1CNC2)C(=O)N(CC3=CC=CC=C3Cl)C4CC4)C5=CC=C(C=C5)CCCOC6=C(C=CC(=C6F)F)F

InChI

InChI=1S/C35H35ClF3N3O3/c1-21(43)42-26-17-27(23-10-8-22(9-11-23)5-4-16-45-34-30(38)15-14-29(37)33(34)39)32(31(42)19-40-18-26)35(44)41(25-12-13-25)20-24-6-2-3-7-28(24)36/h2-3,6-11,14-15,25-26,31,40H,4-5,12-13,16-20H2,1H3/t26-,31-/m1/s1