CAU

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Summary

Name:(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
Synonyms:(S)-Carazolol
Formula:C18 H22 N2 O2
Formal charge:0
Molecular weight:298.379 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol
OpenEye OEToolkits1.5.0(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2
SMILES_CANONICALCACTVS3.341CC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
SMILESCACTVS3.341CC(C)NC[CH](O)COc1cccc2[nH]c3ccccc3c12
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O
SMILESOpenEye OEToolkits1.5.0CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O
InChIInChI1.03InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyInChI1.03BQXQGZPYHWWCEB-ZDUSSCGKSA-N
167327
PDB entries from 2020-08-05