6S4

(3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Created:2016-06-10
Last modified:  2016-07-13

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count38
Aromatic Bond Count6
2D diagram of 6S4

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Chemical Component Summary

Name(3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Systematic Name (OpenEye OEToolkits)(3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
FormulaC14 H20 N2 O
Molecular Weight232.321
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)(C)NC(=O)[CH]1Cc2ccccc2CN1
SMILESOpenEye OEToolkits2.0.5CC(C)(C)NC(=O)C1Cc2ccccc2CN1
Canonical SMILESCACTVS3.385 CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1
Canonical SMILESOpenEye OEToolkits2.0.5 CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI1.03 InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyInChI1.03 DMJXRYSGXCLCFP-LBPRGKRZSA-N

Related Resource References

Resource NameReference
PubChem 688344