3-[4-[3-[2-chloranyl-3,5-bis(fluoranyl)phenoxy]propyl]phenyl]-N-cyclopropyl-7-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-9-azabicyclo[3.3.1]non-3-ene-4-carboxamide

Systemtic Name: 3-[4-[3-[2-chloranyl-3,5-bis(fluoranyl)phenoxy]propyl]phenyl]-N-cyclopropyl-7-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-9-azabicyclo[3.3.1]non-3-ene-4-carboxamide Openeye Name: 3-[4-[3-(2-chloro-3,5-difluoro-phenoxy)propyl]phenyl]-N-cyclopropyl-7-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-N-[(3-methoxy-2-methyl-phenyl)methyl]-9-azabicyclo[3.3.1]non-3-ene-4-carboxamide CAS Name: 3-[4-[3-(2-chloro-3,5-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-7-[[2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-N-[(3-methoxy-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]non-3-ene-4-carboxamide IUPAC Name: 3-[4-[3-(2-chloro-3,5-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-7-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-N-[(3-methoxy-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]non-3-ene-4-carboxamide Traditional Name: 3-[4-[3-(2-chloro-3,5-difluoro-phenoxy)propyl]phenyl]-N-cyclopropyl-N-(3-methoxy-2-methyl-benzyl)-7-(2-methylolpyrrolidine-1-carbonyl)-9-azabicyclo[3.3.1]non-3-ene-4-carboxamide Formula: C42H48ClF2N3O5 MolecularWeight: 748.297426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(CC4CC(CC3N4)C(=O)N5CCCC5CO)C6=CC=C(C=C6)CCCOC7=CC(=CC(=C7Cl)F)F

Isomeric SMILES

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(CC4CC(CC3N4)C(=O)N5CCCC5CO)C6=CC=C(C=C6)CCCOC7=CC(=CC(=C7Cl)F)F

InChI

InChI=1S/C42H48ClF2N3O5/c1-25-28(7-3-9-37(25)52-2)23-48(32-14-15-32)42(51)39-34(22-31-18-29(19-36(39)46-31)41(50)47-16-4-8-33(47)24-49)27-12-10-26(11-13-27)6-5-17-53-38-21-30(44)20-35(45)40(38)43/h3,7,9-13,20-21,29,31-33,36,46,49H,4-6,8,14-19,22-24H2,1-2H3