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SummaryGeometryRelated PDB entries

U2B

Summary
Name:(1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione
Formula:C20 H15 N3 O2
Formal charge:0
Formula weight:329.352 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione
OpenEye OEToolkits2.0.7(3~{R})-3'-isoquinolin-4-ylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N(C(=O)NC21CCc1ccccc12)c1cncc2ccccc21
InChIInChI1.06InChI=1S/C20H15N3O2/c24-18-20(10-9-13-5-2-4-8-16(13)20)22-19(25)23(18)17-12-21-11-14-6-1-3-7-15(14)17/h1-8,11-12H,9-10H2,(H,22,25)/t20-/m1/s1
InChIKeyInChI1.06BYRXZERFENWTMH-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385O=C1N[C@@]2(CCc3ccccc23)C(=O)N1c4cncc5ccccc45
SMILESCACTVS3.385O=C1N[C]2(CCc3ccccc23)C(=O)N1c4cncc5ccccc45
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCc5c4cccc5)NC3=O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)cncc2N3C(=O)C4(CCc5c4cccc5)NC3=O

221716

PDB entries from 2024-06-26

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