N-[2-[(3S)-3-[methyl-[4-oxidanyl-4-(5-pyrazin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[(3S)-3-[methyl-[4-oxidanyl-4-(5-pyrazin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrazin-2-yl-2-pyridyl)cyclohexyl]-methyl-amino]pyrrolidin-1-yl]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[(3S)-3-[[4-hydroxy-4-[5-(2-pyrazinyl)-2-pyridinyl]cyclohexyl]-methylamino]-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrazin-2-ylpyridin-2-yl)cyclohexyl]-methylamino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrazin-2-yl-2-pyridyl)cyclohexyl]-methyl-amino]pyrrolidino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C30H33F3N6O3 MolecularWeight: 582.61663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)(C2=NC=C(C=C2)C3=NC=CN=C3)O)C4CCN(C4)C(=O)CNC(=O)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

CN([C@H]1CCN(C1)C(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=NC=C(C=C4)C5=NC=CN=C5)O

InChI

InChI=1S/C30H33F3N6O3/c1-38(23-7-10-29(42,11-8-23)26-6-5-21(16-36-26)25-17-34-12-13-35-25)24-9-14-39(19-24)27(40)18-37-28(41)20-3-2-4-22(15-20)30(31,32)33/h2-6,12-13,15-17,23-24,42H,7-11,14,18-19H2,1H3,(H,37,41)/t23?,24-,29?/m0/s1