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A1IA1

Summary
Name:6-[4-(5-chloranyl-1~{H}-indol-3-yl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one
Formula:C22 H20 Cl N3 O3
Formal charge:0
Formula weight:409.866 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[4-(5-chloranyl-1~{H}-indol-3-yl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H20ClN3O3/c23-15-2-3-18-16(10-15)17(11-24-18)13-5-7-26(8-6-13)22(28)14-1-4-20-19(9-14)25-21(27)12-29-20/h1-4,9-11,13,24H,5-8,12H2,(H,25,27)
InChIKeyInChI1.06NRFBMOTXWSHNOV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2[nH]cc(C3CCN(CC3)C(=O)c4ccc5OCC(=O)Nc5c4)c2c1
SMILESCACTVS3.385Clc1ccc2[nH]cc(C3CCN(CC3)C(=O)c4ccc5OCC(=O)Nc5c4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc1C(=O)N3CCC(CC3)c4c[nH]c5c4cc(cc5)Cl)NC(=O)CO2
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1C(=O)N3CCC(CC3)c4c[nH]c5c4cc(cc5)Cl)NC(=O)CO2

254227

PDB entries from 2026-05-27

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