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A1BQY

Summary
Name:1-methyl-N-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-3-carboxamide
Formula:C19 H20 N4 O
Formal charge:0
Formula weight:320.388 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-methyl-N-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-3-carboxamide
OpenEye OEToolkits3.1.0.01-methyl-~{N}-[[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]indazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NCC1Cc2ccccc2CN1)c1nn(C)c2ccccc21
InChIInChI1.06InChI=1S/C19H20N4O/c1-23-17-9-5-4-8-16(17)18(22-23)19(24)21-12-15-10-13-6-2-3-7-14(13)11-20-15/h2-9,15,20H,10-12H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyInChI1.06FCRASUWOKLJVQY-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c4ccccc14
SMILESCACTVS3.385Cn1nc(C(=O)NC[CH]2Cc3ccccc3CN2)c4ccccc14
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1c2ccccc2c(n1)C(=O)NC[C@@H]3Cc4ccccc4CN3
SMILESOpenEye OEToolkits3.1.0.0Cn1c2ccccc2c(n1)C(=O)NCC3Cc4ccccc4CN3

248335

PDB entries from 2026-01-28

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