C5V

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Summary

Name:(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
Formula:C24 H19 N3 O3
Formal charge:0
Molecular weight:397.426 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
OpenEye OEToolkits2.0.6(1~{S},2~{S})-~{N}-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]-2-pyridin-3-yl-cyclopropane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c3ccc(NC(C1CC1c2cnccc2)=O)cc3)N4C(c5c(C4=O)cccc5)=O
InChIInChI1.03InChI=1S/C24H19N3O3/c28-22(21-12-20(21)16-4-3-11-25-13-16)26-17-9-7-15(8-10-17)14-27-23(29)18-5-1-2-6-19(18)24(27)30/h1-11,13,20-21H,12,14H2,(H,26,28)/t20-,21+/m1/s1
InChIKeyInChI1.03ZFFWKXDUNGUFER-RTWAWAEBSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@H]4C[C@@H]4c5cccnc5
SMILESCACTVS3.385O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[CH]4C[CH]4c5cccnc5
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)C4CC4c5cccnc5