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NJU

Summary
Name:2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide
Formula:C17 H17 Cl N2 O
Formal charge:0
Formula weight:300.783 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-(5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2CCCCc21
InChIInChI1.06InChI=1S/C17H17ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,20,21)
InChIKeyInChI1.06KVBRDRRWOWILOL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cccc(CC(=O)Nc2cncc3CCCCc23)c1
SMILESCACTVS3.385Clc1cccc(CC(=O)Nc2cncc3CCCCc23)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCC3
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCC3

218853

PDB entries from 2024-04-24

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