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8HY

Summary
Name:N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide
Formula:C25 H23 N3 O2
Formal charge:0
Formula weight:397.469 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide
OpenEye OEToolkits2.0.6~{N}-[4-(3-phenylpropylcarbamoyl)phenyl]isoindole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(c1ccc(cc1)NC(n3cc2c(cccc2)c3)=O)=O)CCCc4ccccc4
InChIInChI1.03InChI=1S/C25H23N3O2/c29-24(26-16-6-9-19-7-2-1-3-8-19)20-12-14-23(15-13-20)27-25(30)28-17-21-10-4-5-11-22(21)18-28/h1-5,7-8,10-15,17-18H,6,9,16H2,(H,26,29)(H,27,30)
InChIKeyInChI1.03YXCPDCLETYPTMF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1ccc(cc1)C(=O)NCCCc2ccccc2)n3cc4ccccc4c3
SMILESCACTVS3.385O=C(Nc1ccc(cc1)C(=O)NCCCc2ccccc2)n3cc4ccccc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3

218853

PDB entries from 2024-04-24

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