C51

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Summary

Name:(2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide
Formula:C25 H25 N3 O
Formal charge:0
Molecular weight:383.486 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide
OpenEye OEToolkits2.0.6(2~{R})-~{N}-(4-cyanophenyl)-2-(4-quinolin-4-ylcyclohexyl)propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(C#N)cc1)NC(C(C4CCC(c2ccnc3c2cccc3)CC4)C)=O
InChIInChI1.03InChI=1S/C25H25N3O/c1-17(25(29)28-21-12-6-18(16-26)7-13-21)19-8-10-20(11-9-19)22-14-15-27-24-5-3-2-4-23(22)24/h2-7,12-15,17,19-20H,8-11H2,1H3,(H,28,29)/t17-,19-,20+/m1/s1
InChIKeyInChI1.03GDSGPUWADCUKPY-RLLQIKCJSA-N
SMILES_CANONICALCACTVS3.385C[C@H]([C@@H]1CC[C@@H](CC1)c2ccnc3ccccc23)C(=O)Nc4ccc(cc4)C#N
SMILESCACTVS3.385C[CH]([CH]1CC[CH](CC1)c2ccnc3ccccc23)C(=O)Nc4ccc(cc4)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@H](C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N
SMILESOpenEye OEToolkits2.0.6CC(C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N
170383
PDB entries from 2020-10-28