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SummaryGeometryRelated PDB entries

OSI

Summary
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H17 Cl N2 O2
Formal charge:0
Formula weight:352.814 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OpenEye OEToolkits2.0.7(4~{R})-6-chloranyl-~{N}-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2ccccc21
InChIInChI1.06InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyInChI1.06CPQDCUNLQZNEBN-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385C[C@]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34
SMILESCACTVS3.385C[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4
SMILESOpenEye OEToolkits2.0.7CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4

218853

PDB entries from 2024-04-24

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