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N0G

Summary
Name:2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide
Synonyms:Sirtinol
Formula:C26 H22 N2 O2
Formal charge:0
Formula weight:394.465 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide
OpenEye OEToolkits2.0.72-[(2-oxidanylnaphthalen-1-yl)methylideneamino]-~{N}-[(1~{S})-1-phenylethyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(/c2c(C(=O)NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O
InChIInChI1.03InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17-/t18-/m0/s1
InChIKeyInChI1.03UXJFDYIHRJGPFS-PTXYPZRJSA-N
SMILES_CANONICALCACTVS3.385C[C@H](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4
SMILESCACTVS3.385C[CH](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O
SMILESOpenEye OEToolkits2.0.7CC(c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O

223790

PDB entries from 2024-08-14

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