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VOI

Summary
Name:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
Formula:C20 H19 N3 O3
Formal charge:0
Formula weight:349.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
OpenEye OEToolkits2.0.73-[2-(2-cyanoindolizin-8-yl)oxyphenoxy]-~{N},~{N}-dimethyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChIInChI1.06InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3
InChIKeyInChI1.06UENZVQQFHDXFGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N
SMILESCACTVS3.385CN(C)C(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C(=O)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N

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PDB entries from 2024-07-10

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