(1S,9aR,11aS)-1-[2,6-bis(fluoranyl)phenyl]carbonyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one

Systemtic Name: (1S,9aR,11aS)-1-[2,6-bis(fluoranyl)phenyl]carbonyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one Openeye Name: (1S,9aR,11aS)-1-(2,6-difluorobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one CAS Name: (1S,9aR,11aS)-1-[(2,6-difluorophenyl)-oxomethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one IUPAC Name: (1S,9aR,11aS)-1-(2,6-difluorobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one Traditional Name: (1S,9aR,11aS)-1-(2,6-difluorobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one Formula: C25H29F2NO2 MolecularWeight: 413.500066

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)C4=C(C=CC=C4F)F)CNC5=CC(=O)CCC35C

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2C(=O)C4=C(C=CC=C4F)F)CNC5=CC(=O)CC[C@]35C

InChI

InChI=1S/C25H29F2NO2/c1-24-11-9-17-15(13-28-21-12-14(29)8-10-25(17,21)2)16(24)6-7-18(24)23(30)22-19(26)4-3-5-20(22)27/h3-5,12,15-18,28H,6-11,13H2,1-2H3/t15?,16?,17?,18-,24+,25-/m1/s1