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A1IHS

Summary
Name:1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
Formula:C24 H26 N4 O
Formal charge:0
Formula weight:386.489 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2
InChIKeyInChI1.06OYVQUEIDYQCADD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1CCCC2(CCN(CC2)c3cnc4ccccc4n3)N1Cc5ccccc5
SMILESCACTVS3.385O=C1CCCC2(CCN(CC2)c3cnc4ccccc4n3)N1Cc5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CN2C(=O)CCCC23CCN(CC3)c4cnc5ccccc5n4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2C(=O)CCCC23CCN(CC3)c4cnc5ccccc5n4

247947

PDB entries from 2026-01-21

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