DU5

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Summary

Name:~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
Formula:C23 H26 N4 O
Formal charge:0
Molecular weight:374.479 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H26N4O/c28-23(20-8-2-1-3-9-20)25-12-6-14-26-15-17-27(18-16-26)22-21-10-5-4-7-19(21)11-13-24-22/h1-5,7-11,13H,6,12,14-18H2,(H,25,28)
InChIKeyInChI1.03FJTUELRAUXXLBI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(NCCCN1CCN(CC1)c2nccc3ccccc23)c4ccccc4
SMILESCACTVS3.385O=C(NCCCN1CCN(CC1)c2nccc3ccccc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3