N-(azepan-4-yl)-1-(2-ethoxyethyl)benzimidazol-2-amine; ethanedioate

Systemtic Name: N-(azepan-4-yl)-1-(2-ethoxyethyl)benzimidazol-2-amine; ethanedioate Openeye Name: N-(azepan-4-yl)-1-(2-ethoxyethyl)benzimidazol-2-amine; oxalate CAS Name: N-(4-azepanyl)-1-(2-ethoxyethyl)-2-benzimidazolamine; oxalate IUPAC Name: N-(azepan-4-yl)-1-(2-ethoxyethyl)benzimidazol-2-amine; oxalate Traditional Name: azepan-4-yl-[1-(2-ethoxyethyl)benzimidazol-2-yl]amine; oxalate Formula: C23H26N4O13-6 MolecularWeight: 566.47154

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1NC3CCCNCC3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCOCCN1C2=CC=CC=C2N=C1NC3CCCNCC3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C17H26N4O.3C2H2O4/c1-2-22-13-12-21-16-8-4-3-7-15(16)20-17(21)19-14-6-5-10-18-11-9-14;3*3-1(4)2(5)6/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3,(H,19,20);3*(H,3,4)(H,5,6)/p-6