N-[[2-(3-azanyl-3-oxidanylidene-propoxy)-3-methyl-pyridin-4-yl]methyl]-3-[4-[3-[2-chloranyl-3,6-bis(fluoranyl)phenoxy]propyl]phenyl]-N-cyclopropyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxamide

Systemtic Name: N-[[2-(3-azanyl-3-oxidanylidene-propoxy)-3-methyl-pyridin-4-yl]methyl]-3-[4-[3-[2-chloranyl-3,6-bis(fluoranyl)phenoxy]propyl]phenyl]-N-cyclopropyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxamide Openeye Name: N-[[2-(3-amino-3-oxo-propoxy)-3-methyl-4-pyridyl]methyl]-3-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-N-cyclopropyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxamide CAS Name: N-[[2-(3-amino-3-oxopropoxy)-3-methyl-4-pyridinyl]methyl]-3-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxamide IUPAC Name: N-[[2-(3-amino-3-oxopropoxy)-3-methylpyridin-4-yl]methyl]-3-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxamide Traditional Name: N-[[2-(3-amino-3-keto-propoxy)-3-methyl-4-pyridyl]methyl]-3-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-N-cyclopropyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxamide Formula: C36H39ClF2N4O4 MolecularWeight: 665.169066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1OCCC(=O)N)CN(C2CC2)C(=O)C3=C(CC4CCC3N4)C5=CC=C(C=C5)CCCOC6=C(C=CC(=C6Cl)F)F

Isomeric SMILES

CC1=C(C=CN=C1OCCC(=O)N)CN(C2CC2)C(=O)C3=C(CC4CCC3N4)C5=CC=C(C=C5)CCCOC6=C(C=CC(=C6Cl)F)F

InChI

InChI=1S/C36H39ClF2N4O4/c1-21-24(14-16-41-35(21)47-18-15-31(40)44)20-43(26-9-10-26)36(45)32-27(19-25-8-13-30(32)42-25)23-6-4-22(5-7-23)3-2-17-46-34-29(39)12-11-28(38)33(34)37/h4-7,11-12,14,16,25-26,30,42H,2-3,8-10,13,15,17-20H2,1H3,(H2,40,44)