(3aR,6aR)-5-[4-[2-(2-bromanyl-5-fluoranyl-phenoxy)ethyl]phenyl]-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide

Systemtic Name: (3aR,6aR)-5-[4-[2-(2-bromanyl-5-fluoranyl-phenoxy)ethyl]phenyl]-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide Openeye Name: (3aR,6aR)-5-[4-[2-(2-bromo-5-fluoro-phenoxy)ethyl]phenyl]-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide CAS Name: (3aR,6aR)-5-[4-[2-(2-bromo-5-fluorophenoxy)ethyl]phenyl]-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide IUPAC Name: (3aR,6aR)-5-[4-[2-(2-bromo-5-fluorophenoxy)ethyl]phenyl]-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide Traditional Name: (3aR,6aR)-5-[4-[2-(2-bromo-5-fluoro-phenoxy)ethyl]phenyl]-N-cyclopropyl-N-(2,3-dimethylbenzyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-4-carboxamide Formula: C34H36BrFN2O2 MolecularWeight: 603.564243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CN(C2CC2)C(=O)C3=C(CC4C3CNC4)C5=CC=C(C=C5)CCOC6=C(C=CC(=C6)F)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)CN(C2CC2)C(=O)C3=C(C[C@@H]4[C@H]3CNC4)C5=CC=C(C=C5)CCOC6=C(C=CC(=C6)F)Br)C

InChI

InChI=1S/C34H36BrFN2O2/c1-21-4-3-5-25(22(21)2)20-38(28-11-12-28)34(39)33-29(16-26-18-37-19-30(26)33)24-8-6-23(7-9-24)14-15-40-32-17-27(36)10-13-31(32)35/h3-10,13,17,26,28,30,37H,11-12,14-16,18-20H2,1-2H3/t26-,30+/m0/s1