(1R,5S)-N-[[2,3-bis(chloranyl)phenyl]methyl]-7-[4-[(3R)-3-(2-chloranyl-4-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-4-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-4-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-4-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-4-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-4-methyl-phenoxy)pyrrolidino]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C35H37Cl3N4O2 MolecularWeight: 652.05288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)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=CC(=C(C=C1)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/C35H37Cl3N4O2/c1-21-5-12-32(30(37)15-21)44-27-13-14-41(20-27)25-8-6-22(7-9-25)28-16-24-17-39-18-31(40-24)33(28)35(43)42(26-10-11-26)19-23-3-2-4-29(36)34(23)38/h2-9,12,15,24,26-27,31,39-40H,10-11,13-14,16-20H2,1H3/t24-,27-,31-/m1/s1