(1S,5S)-N-[[2,3-bis(chloranyl)phenyl]methyl]-N-cyclopropyl-7-[4-[[ethyl-[[2,3,6-tris(fluoranyl)phenyl]methyl]amino]methyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1S,5S)-N-[[2,3-bis(chloranyl)phenyl]methyl]-N-cyclopropyl-7-[4-[[ethyl-[[2,3,6-tris(fluoranyl)phenyl]methyl]amino]methyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[[ethyl-[(2,3,6-trifluorophenyl)methyl]amino]methyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[[ethyl-[(2,3,6-trifluorophenyl)methyl]amino]methyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[[ethyl-[(2,3,6-trifluorophenyl)methyl]amino]methyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1S,5S)-N-cyclopropyl-N-(2,3-dichlorobenzyl)-7-[4-[[ethyl-(2,3,6-trifluorobenzyl)amino]methyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C34H35Cl2F3N4O MolecularWeight: 643.56911

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C2=C(C3CNCC(C2)N3)C(=O)N(CC4=C(C(=CC=C4)Cl)Cl)C5CC5)CC6=C(C=CC(=C6F)F)F

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C2=C([C@H]3CNC[C@H](C2)N3)C(=O)N(CC4=C(C(=CC=C4)Cl)Cl)C5CC5)CC6=C(C=CC(=C6F)F)F

InChI

InChI=1S/C34H35Cl2F3N4O/c1-2-42(19-26-28(37)12-13-29(38)33(26)39)17-20-6-8-21(9-7-20)25-14-23-15-40-16-30(41-23)31(25)34(44)43(24-10-11-24)18-22-4-3-5-27(35)32(22)36/h3-9,12-13,23-24,30,40-41H,2,10-11,14-19H2,1H3/t23-,30+/m0/s1