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SummaryGeometryRelated PDB entries

NSR

Summary
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C19 H15 Cl N2 O2
Formal charge:0
Formula weight:338.788 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChIInChI1.06InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1
InChIKeyInChI1.06QRUNNMAOPKEFMJ-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4ccccc34)c2c1
SMILESCACTVS3.385Clc1ccc2OCC[CH](C(=O)Nc3cncc4ccccc34)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl

218853

PDB entries from 2024-04-24

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