11-(4-aminophenyl)-6-fluoranyl-17-(2-methoxyethanoyl)-13-methyl-17-[3,3,3-tris(fluoranyl)prop-1-ynyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 11-(4-aminophenyl)-6-fluoranyl-17-(2-methoxyethanoyl)-13-methyl-17-[3,3,3-tris(fluoranyl)prop-1-ynyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-(4-aminophenyl)-6-fluoro-17-(2-methoxyacetyl)-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-(4-aminophenyl)-6-fluoro-17-(2-methoxy-1-oxoethyl)-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-(4-aminophenyl)-6-fluoro-17-(2-methoxyacetyl)-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-(4-aminophenyl)-6-fluoro-17-(2-methoxyacetyl)-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C30H31F4NO3 MolecularWeight: 529.565653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4C(CC3C1CCC2(C#CC(F)(F)F)C(=O)COC)F)C5=CC=C(C=C5)N

Isomeric SMILES

CC12CC(C3=C4CCC(=O)C=C4C(CC3C1CCC2(C#CC(F)(F)F)C(=O)COC)F)C5=CC=C(C=C5)N

InChI

InChI=1S/C30H31F4NO3/c1-28-15-23(17-3-5-18(35)6-4-17)27-20-8-7-19(36)13-21(20)25(31)14-22(27)24(28)9-10-29(28,26(37)16-38-2)11-12-30(32,33)34/h3-6,13,22-25H,7-10,14-16,35H2,1-2H3