1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-N-methyl-pyrrole-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-N-methyl-pyrrole-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-N-methyl-pyrrole-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-N-methyl-3-pyrrolecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-N-methylpyrrole-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 1-(3-amidinobenzyl)-4-(4-amidinobenzyl)-N-methyl-pyrrole-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C26H26F6N6O5 MolecularWeight: 616.512259

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C1CC2=CC=C(C=C2)C(=N)N)CC3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CNC(=O)C1=CN(C=C1CC2=CC=C(C=C2)C(=N)N)CC3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H24N6O.2C2HF3O2/c1-27-22(29)19-13-28(11-15-3-2-4-17(10-15)21(25)26)12-18(19)9-14-5-7-16(8-6-14)20(23)24;2*3-2(4,5)1(6)7/h2-8,10,12-13H,9,11H2,1H3,(H3,23,24)(H3,25,26)(H,27,29);2*(H,6,7)