N1,N3,N5-tris(1H-benzimidazol-2-ylmethyl)benzene-1,3,5-tricarboxamide trihydrochloride

Systemtic Name: N1,N3,N5-tris(1H-benzimidazol-2-ylmethyl)benzene-1,3,5-tricarboxamide trihydrochloride Openeye Name: N1,N3,N5-tris(1H-benzimidazol-2-ylmethyl)benzene-1,3,5-tricarboxamide trihydrochloride CAS Name: N1,N3,N5-tris(1H-benzimidazol-2-ylmethyl)benzene-1,3,5-tricarboxamide trihydrochloride IUPAC Name: 1-N,3-N,5-N-tris(1H-benzimidazol-2-ylmethyl)benzene-1,3,5-tricarboxamide trihydrochloride Traditional Name: N1,N3,N5-tris(1H-benzimidazol-2-ylmethyl)benzene-1,3,5-tricarboxamide trihydrochloride Formula: C33H30Cl3N9O3 MolecularWeight: 707.0088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=CC(=CC(=C3)C(=O)NCC4=NC5=CC=CC=C5N4)C(=O)NCC6=NC7=CC=CC=C7N6.Cl.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=CC(=CC(=C3)C(=O)NCC4=NC5=CC=CC=C5N4)C(=O)NCC6=NC7=CC=CC=C7N6.Cl.Cl.Cl

InChI

InChI=1S/C33H27N9O3.3ClH/c43-31(34-16-28-37-22-7-1-2-8-23(22)38-28)19-13-20(32(44)35-17-29-39-24-9-3-4-10-25(24)40-29)15-21(14-19)33(45)36-18-30-41-26-11-5-6-12-27(26)42-30;;;/h1-15H,16-18H2,(H,34,43)(H,35,44)(H,36,45)(H,37,38)(H,39,40)(H,41,42);3*1H