N'-(1H-benzimidazol-2-yl)-N-[(2-ethoxy-5-iodanyl-3-methyl-phenyl)methyl]propane-1,3-diamine

Systemtic Name: N'-(1H-benzimidazol-2-yl)-N-[(2-ethoxy-5-iodanyl-3-methyl-phenyl)methyl]propane-1,3-diamine Openeye Name: N'-(1H-benzimidazol-2-yl)-N-[(2-ethoxy-5-iodo-3-methyl-phenyl)methyl]propane-1,3-diamine CAS Name: N'-(1H-benzimidazol-2-yl)-N-[(2-ethoxy-5-iodo-3-methylphenyl)methyl]propane-1,3-diamine IUPAC Name: N'-(1H-benzimidazol-2-yl)-N-[(2-ethoxy-5-iodo-3-methylphenyl)methyl]propane-1,3-diamine Traditional Name: 1H-benzimidazol-2-yl-[3-[(2-ethoxy-5-iodo-3-methyl-benzyl)amino]propyl]amine Formula: C20H25IN4O MolecularWeight: 464.34317

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)I)CNCCCNC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=C(C=C(C=C1C)I)CNCCCNC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H25IN4O/c1-3-26-19-14(2)11-16(21)12-15(19)13-22-9-6-10-23-20-24-17-7-4-5-8-18(17)25-20/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3,(H2,23,24,25)