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Summary

Name:6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide
Formula:C22 H19 N3
Formal charge:0
Molecular weight:325.406 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide
OpenEye OEToolkits1.7.66-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethynyl]naphthalene-2-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[N@H]=C(N)c4ccc3cc(C#Cc1ccc2c(c1)CCNC2)ccc3c4
InChIInChI1.03InChI=1S/C22H19N3/c23-22(24)20-8-7-17-11-15(3-5-18(17)13-20)1-2-16-4-6-21-14-25-10-9-19(21)12-16/h3-8,11-13,25H,9-10,14H2,(H3,23,24)
InChIKeyInChI1.03ACKRFKIRNILEQJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370NC(=N)c1ccc2cc(ccc2c1)C#Cc3ccc4CNCCc4c3
SMILESCACTVS3.370NC(=N)c1ccc2cc(ccc2c1)C#Cc3ccc4CNCCc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N
SMILESOpenEye OEToolkits1.7.6c1cc2cc(ccc2cc1C#Cc3ccc4c(c3)CCNC4)C(=N)N
171588
PDB entries from 2020-11-25