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N03

Summary
Name:1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone
Formula:C20 H18 N4 O
Formal charge:0
Formula weight:330.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[5-(5-azanyl-1~{H}-benzimidazol-2-yl)-2-methyl-4-phenyl-1~{H}-pyrrol-3-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H18N4O/c1-11-17(12(2)25)18(13-6-4-3-5-7-13)19(22-11)20-23-15-9-8-14(21)10-16(15)24-20/h3-10,22H,21H2,1-2H3,(H,23,24)
InChIKeyInChI1.03AUSSNQJQQVILMB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)c1c(C)[nH]c(c2[nH]c3ccc(N)cc3n2)c1c4ccccc4
SMILESCACTVS3.385CC(=O)c1c(C)[nH]c(c2[nH]c3ccc(N)cc3n2)c1c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C
SMILESOpenEye OEToolkits2.0.7Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C

223790

건을2024-08-14부터공개중

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