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SummaryGeometryRelated PDB entries

N0X

Summary
Name:(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C16 H18 N4 O2
Formal charge:0
Formula weight:298.34 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nncn1C1CC1)C1(C)CCOc2ccccc21
InChIInChI1.06InChI=1S/C16H18N4O2/c1-16(8-9-22-13-5-3-2-4-12(13)16)14(21)18-15-19-17-10-20(15)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,18,19,21)/t16-/m1/s1
InChIKeyInChI1.06UPRDTUXXNWJLMA-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385C[C@]1(CCOc2ccccc12)C(=O)Nc3nncn3C4CC4
SMILESCACTVS3.385C[C]1(CCOc2ccccc12)C(=O)Nc3nncn3C4CC4
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@]1(CCOc2c1cccc2)C(=O)Nc3nncn3C4CC4
SMILESOpenEye OEToolkits2.0.7CC1(CCOc2c1cccc2)C(=O)Nc3nncn3C4CC4

218853

PDB entries from 2024-04-24

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