Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

8BY

Summary
Name:5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
Formula:C21 H18 N2 O2
Formal charge:0
Formula weight:330.38 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
OpenEye OEToolkits2.0.65-(4-cyanophenyl)-3-propan-2-yloxy-naphthalene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c32c(c1ccc(C#N)cc1)cccc2cc(c(c3)OC(C)C)C(=O)N
InChIInChI1.03InChI=1S/C21H18N2O2/c1-13(2)25-20-11-18-16(10-19(20)21(23)24)4-3-5-17(18)15-8-6-14(12-22)7-9-15/h3-11,13H,1-2H3,(H2,23,24)
InChIKeyInChI1.03IDCYKLUUMJIGRR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(N)=O
SMILESCACTVS3.385CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(N)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N
SMILESOpenEye OEToolkits2.0.6CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon