2-butanoyl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one Traditional Name: 2-butyryl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one Formula: C24H29F3N2O3 MolecularWeight: 450.49387

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OC(F)(F)F)C

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OC(F)(F)F)C

InChI

InChI=1S/C24H29F3N2O3/c1-5-6-20(30)22-19(12-23(3,4)13-21(22)31)28-10-9-16-14(2)29-18-8-7-15(11-17(16)18)32-24(25,26)27/h7-8,11,28-29H,5-6,9-10,12-13H2,1-4H3