6,13-dimethyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-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: 6,13-dimethyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-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: 6,13-dimethyl-11-[4-(1-piperidyl)phenyl]-17-propanoyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 6,13-dimethyl-17-(1-oxopropyl)-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: 6,13-dimethyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 6,13-dimethyl-11-(4-piperidinophenyl)-17-propionyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C36H42F3NO2 MolecularWeight: 577.71939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)C)C5=CC=C(C=C5)N6CCCCC6)C)C#CC(F)(F)F

Isomeric SMILES

CCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)C)C5=CC=C(C=C5)N6CCCCC6)C)C#CC(F)(F)F

InChI

InChI=1S/C36H42F3NO2/c1-4-32(42)35(16-17-36(37,38)39)15-14-31-29-20-23(2)28-21-26(41)12-13-27(28)33(29)30(22-34(31,35)3)24-8-10-25(11-9-24)40-18-6-5-7-19-40/h8-11,21,23,29-31H,4-7,12-15,18-20,22H2,1-3H3