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4G1

Summary
Name:N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
Formula:C22 H23 N3 O3
Formal charge:0
Formula weight:377.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
OpenEye OEToolkits1.9.2N-[1-[[(3-methylphenyl)carbonylamino]methyl]cyclopentyl]-2,1-benzoxazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(cc(c1)C)C(=O)NCC2(CCCC2)NC(c4cccc3c4con3)=O
InChIInChI1.03InChI=1S/C22H23N3O3/c1-15-6-4-7-16(12-15)20(26)23-14-22(10-2-3-11-22)24-21(27)17-8-5-9-19-18(17)13-28-25-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyInChI1.03MHXAYWIKTBXLMI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34
SMILESCACTVS3.385Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4
SMILESOpenEye OEToolkits1.9.2Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4

224931

數據於2024-09-11公開中

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