(2S,3R)-N-ethyl-3-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: (2S,3R)-N-ethyl-3-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide Openeye Name: (2S,3R)-N-ethyl-3-[[2-[4-[methyl-(1-methyl-4-piperidyl)carbamoyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide CAS Name: (2S,3R)-N-ethyl-3-[[2-[4-[[methyl-(1-methyl-4-piperidinyl)amino]-oxomethyl]anilino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]-2-bicyclo[2.2.2]octanecarboxamide IUPAC Name: (2S,3R)-N-ethyl-3-[[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide Traditional Name: (2S,3R)-N-ethyl-3-[[2-[4-[methyl-(1-methyl-4-piperidyl)carbamoyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide Formula: C30H40F3N7O2 MolecularWeight: 587.67951

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C2CCC(C1NC3=NC(=NC=C3C(F)(F)F)NC4=CC=C(C=C4)C(=O)N(C)C5CCN(CC5)C)CC2

Isomeric SMILES

CCNC(=O)[C@@H]1[C@@H](C2CCC1CC2)NC3=NC(=NC=C3C(F)(F)F)NC4=CC=C(C=C4)C(=O)N(C)C5CCN(CC5)C

InChI

InChI=1S/C30H40F3N7O2/c1-4-34-27(41)24-18-5-7-19(8-6-18)25(24)37-26-23(30(31,32)33)17-35-29(38-26)36-21-11-9-20(10-12-21)28(42)40(3)22-13-15-39(2)16-14-22/h9-12,17-19,22,24-25H,4-8,13-16H2,1-3H3,(H,34,41)(H2,35,36,37,38)/t18?,19?,24-,25+/m0/s1