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A1EZ6

Summary
Name:2-(2-chlorophenyl)-7-(5-methylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
Formula:C18 H16 Cl N3 O2
Formal charge:0
Formula weight:341.792 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(2-chlorophenyl)-7-(5-methylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H16ClN3O2/c1-11-6-13(10-20-9-11)22-16(23)18(21-17(22)24)7-12(8-18)14-4-2-3-5-15(14)19/h2-6,9-10,12H,7-8H2,1H3,(H,21,24)/t12-,18+
InChIKeyInChI1.06XBUDFJGTHHZKQZ-HEHXSTRBSA-N
SMILES_CANONICALCACTVS3.385Cc1cncc(c1)N2C(=O)N[C@@]3(C[C@@H](C3)c4ccccc4Cl)C2=O
SMILESCACTVS3.385Cc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)c4ccccc4Cl)C2=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cnc1)N2C(=O)C3(CC(C3)c4ccccc4Cl)NC2=O
SMILESOpenEye OEToolkits2.0.7Cc1cc(cnc1)N2C(=O)C3(CC(C3)c4ccccc4Cl)NC2=O

254917

PDB entries from 2026-06-10

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