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G1Y

Summary
Name:N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
Formula:C20 H19 N3 O
Formal charge:0
Formula weight:317.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
OpenEye OEToolkits2.0.6~{N}-[[3-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4
InChIInChI1.03InChI=1S/C20H19N3O/c24-20(16-7-2-1-3-8-16)21-13-15-6-4-9-17(12-15)18-14-23-11-5-10-19(23)22-18/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,24)
InChIKeyInChI1.03OHOWMSISBAWFED-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(NCc1cccc(c1)c2cn3CCCc3n2)c4ccccc4
SMILESCACTVS3.385O=C(NCc1cccc(c1)c2cn3CCCc3n2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4

218853

PDB entries from 2024-04-24

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