YJY

(6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one

Created: 2023-02-08
Last modified:  2024-02-07

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Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count1
Bond Count82
Aromatic Bond Count21
2D diagram of YJY
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Chemical Component Summary

Name(6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one
Systematic Name (OpenEye OEToolkits)(6~{S})-1-[3,5-bis(trifluoromethyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one
FormulaC32 H32 F6 N4 O3
Molecular Weight634.612
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(cc(c3)C(F)(F)F)C(F)(F)F)n(C3CCC(OC)CC3)c2cc1
SMILESCACTVS3.385CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6cc(cc(c6)C(F)(F)F)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6cc(cc(c6)C(F)(F)F)C(F)(F)F
Canonical SMILESCACTVS3.385 CO[C@@H]1CC[C@@H](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[C@@H]5CCCC(=O)N5c6cc(cc(c6)C(F)(F)F)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)[C@@H]5CCCC(=O)N5c6cc(cc(c6)C(F)(F)F)C(F)(F)F
InChIInChI1.06 InChI=1S/C32H32F6N4O3/c1-17-29(18(2)45-40-17)19-7-12-26-25(13-19)39-30(42(26)22-8-10-24(44-3)11-9-22)27-5-4-6-28(43)41(27)23-15-20(31(33,34)35)14-21(16-23)32(36,37)38/h7,12-16,22,24,27H,4-6,8-11H2,1-3H3/t22-,24+,27-/m0/s1
InChIKeyInChI1.06 YULWSGWLJURFFP-LLGBQNBKSA-N