(1R,5S)-7-[4-[(3R)-3-[3-chloranyl-2,6-bis(fluoranyl)phenoxy]pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1R,5S)-7-[4-[(3R)-3-[3-chloranyl-2,6-bis(fluoranyl)phenoxy]pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1R,5S)-7-[4-[(3R)-3-(3-chloro-2,6-difluoro-phenoxy)pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1R,5S)-7-[4-[(3R)-3-(3-chloro-2,6-difluorophenoxy)-1-pyrrolidinyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1R,5S)-7-[4-[(3R)-3-(3-chloro-2,6-difluorophenoxy)pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1R,5S)-7-[4-[(3R)-3-(3-chloro-2,6-difluoro-phenoxy)pyrrolidino]phenyl]-N-cyclopropyl-N-(3-methoxy-2-methyl-benzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C36H39ClF2N4O3 MolecularWeight: 649.169666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)C5=CC=C(C=C5)N6CCC(C6)OC7=C(C=CC(=C7F)Cl)F

Isomeric SMILES

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)C5=CC=C(C=C5)N6CC[C@H](C6)OC7=C(C=CC(=C7F)Cl)F

InChI

InChI=1S/C36H39ClF2N4O3/c1-21-23(4-3-5-32(21)45-2)19-43(26-10-11-26)36(44)33-28(16-24-17-40-18-31(33)41-24)22-6-8-25(9-7-22)42-15-14-27(20-42)46-35-30(38)13-12-29(37)34(35)39/h3-9,12-13,24,26-27,31,40-41H,10-11,14-20H2,1-2H3/t24-,27-,31-/m1/s1