[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-cyclohexyl-methanone

Systemtic Name: [(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-cyclohexyl-methanone Openeye Name: [(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-cyclohexyl-methanone CAS Name: [(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methyl-4-pyrazolyl)-2-pyrimidinyl]amino]-2-ethyl-1-pyrrolidinyl]-cyclohexylmethanone IUPAC Name: [(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethylpyrrolidin-1-yl]-cyclohexylmethanone Traditional Name: [(2R,4S)-4-[[3,5-bis(trifluoromethyl)benzyl]-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidino]-cyclohexyl-methanone Formula: C30H34F6N6O MolecularWeight: 608.620979

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN1C(=O)C2CCCCC2)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)C5=CN(N=C5)C

Isomeric SMILES

CC[C@@H]1C[C@@H](CN1C(=O)C2CCCCC2)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)C5=CN(N=C5)C

InChI

InChI=1S/C30H34F6N6O/c1-3-25-12-26(18-41(25)27(43)20-7-5-4-6-8-20)42(28-37-13-21(14-38-28)22-15-39-40(2)17-22)16-19-9-23(29(31,32)33)11-24(10-19)30(34,35)36/h9-11,13-15,17,20,25-26H,3-8,12,16,18H2,1-2H3/t25-,26+/m1/s1