17-(2-methoxyethanoyl)-13-methyl-11-(4-piperidin-1-ylphenyl)-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: 17-(2-methoxyethanoyl)-13-methyl-11-(4-piperidin-1-ylphenyl)-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: 17-(2-methoxyacetyl)-13-methyl-11-[4-(1-piperidyl)phenyl]-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 17-(2-methoxy-1-oxoethyl)-13-methyl-11-[4-(1-piperidinyl)phenyl]-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 17-(2-methoxyacetyl)-13-methyl-11-(4-piperidin-1-ylphenyl)-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 17-(2-methoxyacetyl)-13-methyl-11-(4-piperidinophenyl)-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C35H40F3NO3 MolecularWeight: 579.69221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC(F)(F)F)C(=O)COC)C5=CC=C(C=C5)N6CCCCC6

Isomeric SMILES

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC(F)(F)F)C(=O)COC)C5=CC=C(C=C5)N6CCCCC6

InChI

InChI=1S/C35H40F3NO3/c1-33-21-29(23-6-9-25(10-7-23)39-18-4-3-5-19-39)32-27-13-11-26(40)20-24(27)8-12-28(32)30(33)14-15-34(33,31(41)22-42-2)16-17-35(36,37)38/h6-7,9-10,20,28-30H,3-5,8,11-15,18-19,21-22H2,1-2H3