1-[(3Z)-3-hydroxyimino-6,13-dimethyl-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-17-yl]ethanone

Systemtic Name: 1-[(3Z)-3-hydroxyimino-6,13-dimethyl-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-17-yl]ethanone Openeye Name: 1-[(3Z)-3-hydroxyimino-6,13-dimethyl-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-17-yl]ethanone CAS Name: 1-[(3Z)-3-hydroxyimino-6,13-dimethyl-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-17-yl]ethanone IUPAC Name: 1-[(3Z)-3-hydroxyimino-6,13-dimethyl-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-17-yl]ethanone Traditional Name: 1-[(3Z)-3-hydroximino-6,13-dimethyl-11-(4-piperidinophenyl)-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone Formula: C35H41F3N2O2 MolecularWeight: 578.70745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC(C3(CC(C2=C4C1=CC(=NO)CC4)C5=CC=C(C=C5)N6CCCCC6)C)(C#CC(F)(F)F)C(=O)C

Isomeric SMILES

CC1CC2C3CCC(C3(CC(C2=C4C1=C/C(=N\O)/CC4)C5=CC=C(C=C5)N6CCCCC6)C)(C#CC(F)(F)F)C(=O)C

InChI

InChI=1S/C35H41F3N2O2/c1-22-19-29-31-13-14-34(23(2)41,15-16-35(36,37)38)33(31,3)21-30(32(29)27-12-9-25(39-42)20-28(22)27)24-7-10-26(11-8-24)40-17-5-4-6-18-40/h7-8,10-11,20,22,29-31,42H,4-6,9,12-14,17-19,21H2,1-3H3/b39-25-