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RKA

Summary
Name:N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE
Formula:C30 H25 N5
Formal charge:0
Formula weight:455.553 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N'-(1H-pyrrole-2,5-diyldibenzene-4,1-diyl)dibenzenecarboximidamide
OpenEye OEToolkits1.5.0N-[4-[5-[4-[(phenylcarbonimidoyl)amino]phenyl]-1H-pyrrol-2-yl]phenyl]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[N@H]=C(c1ccccc1)Nc5ccc(c4ccc(c3ccc(NC(=[N@H])c2ccccc2)cc3)n4)cc5
SMILES_CANONICALCACTVS3.341N=C(Nc1ccc(cc1)c2[nH]c(cc2)c3ccc(NC(=N)c4ccccc4)cc3)c5ccccc5
SMILESCACTVS3.341N=C(Nc1ccc(cc1)c2[nH]c(cc2)c3ccc(NC(=N)c4ccccc4)cc3)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(/c1ccccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)N/C(=N/[H])/c5ccccc5
SMILESOpenEye OEToolkits1.5.0[H]N=C(c1ccccc1)Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)NC(=N[H])c5ccccc5
InChIInChI1.03InChI=1S/C30H25N5/c31-29(23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)27-19-20-28(35-27)22-13-17-26(18-14-22)34-30(32)24-9-5-2-6-10-24/h1-20,35H,(H2,31,33)(H2,32,34)
InChIKeyInChI1.03AXUZUHYCWFMCLV-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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