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

Systemtic Name: N-[2-oxidanylidene-2-[(3S)-3-[[4-oxidanyl-4-(5-pyrimidin-5-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-5-yl-2-pyridyl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[(3S)-3-[[4-hydroxy-4-[5-(5-pyrimidinyl)-2-pyridinyl]cyclohexyl]amino]-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-5-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[(3S)-3-[[4-hydroxy-4-[5-(5-pyrimidyl)-2-pyridyl]cyclohexyl]amino]pyrrolidino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C29H31F3N6O3 MolecularWeight: 568.59005

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2CCN(C2)C(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=NC=C(C=C4)C5=CN=CN=C5)O

Isomeric SMILES

C1CN(C[C@H]1NC2CCC(CC2)(C3=NC=C(C=C3)C4=CN=CN=C4)O)C(=O)CNC(=O)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C29H31F3N6O3/c30-29(31,32)22-3-1-2-19(12-22)27(40)36-16-26(39)38-11-8-24(17-38)37-23-6-9-28(41,10-7-23)25-5-4-20(15-35-25)21-13-33-18-34-14-21/h1-5,12-15,18,23-24,37,41H,6-11,16-17H2,(H,36,40)/t23?,24-,28?/m0/s1