6-(3-bromanyl-5-fluoranyl-phenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 6-(3-bromanyl-5-fluoranyl-phenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 6-(3-bromo-5-fluoro-phenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 6-(3-bromo-5-fluorophenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 6-(3-bromo-5-fluorophenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 6-(3-bromo-5-fluoro-phenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C37H41BrFNO4 MolecularWeight: 662.628143

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34.CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)Br)F)NC(=O)O1)C

Isomeric SMILES

CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)Br)F)NC(=O)O1)C

InChI

InChI=1S/C21H28O2.C16H13BrFNO2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2;1-16(2)13-7-9(3-4-14(13)19-15(20)21-16)10-5-11(17)8-12(18)6-10/h2,13,16-19,23H,3,5-12H2,1H3;3-8H,1-2H3,(H,19,20)/t16-,17+,18+,19-,20-,21-;/m0./s1