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

Systemtic Name: (1R,5S)-N-[[2,3-bis(chloranyl)phenyl]methyl]-7-[4-[(3R)-3-(2-chloranyl-6-fluoranyl-3-methyl-phenoxy)pyrrolidin-1-yl]phenyl]-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1R,5S)-7-[4-[(3R)-3-(2-chloro-6-fluoro-3-methyl-phenoxy)pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1R,5S)-7-[4-[(3R)-3-(2-chloro-6-fluoro-3-methylphenoxy)-1-pyrrolidinyl]phenyl]-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1R,5S)-7-[4-[(3R)-3-(2-chloro-6-fluoro-3-methylphenoxy)pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1R,5S)-7-[4-[(3R)-3-(2-chloro-6-fluoro-3-methyl-phenoxy)pyrrolidino]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C35H36Cl3FN4O2 MolecularWeight: 670.043343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)F)OC2CCN(C2)C3=CC=C(C=C3)C4=C(C5CNCC(C4)N5)C(=O)N(CC6=C(C(=CC=C6)Cl)Cl)C7CC7)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)F)O[C@@H]2CCN(C2)C3=CC=C(C=C3)C4=C([C@H]5CNC[C@@H](C4)N5)C(=O)N(CC6=C(C(=CC=C6)Cl)Cl)C7CC7)Cl

InChI

InChI=1S/C35H36Cl3FN4O2/c1-20-5-12-29(39)34(32(20)37)45-26-13-14-42(19-26)24-8-6-21(7-9-24)27-15-23-16-40-17-30(41-23)31(27)35(44)43(25-10-11-25)18-22-3-2-4-28(36)33(22)38/h2-9,12,23,25-26,30,40-41H,10-11,13-19H2,1H3/t23-,26-,30-/m1/s1