ethanedioate; N-(1-methylazepan-4-yl)-1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine

Systemtic Name: ethanedioate; N-(1-methylazepan-4-yl)-1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine Openeye Name: N-(1-methylazepan-4-yl)-1-[(5-methyl-2-furyl)methyl]benzimidazol-2-amine; oxalate CAS Name: N-(1-methyl-4-azepanyl)-1-[(5-methyl-2-furanyl)methyl]-2-benzimidazolamine; oxalate IUPAC Name: N-(1-methylazepan-4-yl)-1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine; oxalate Traditional Name: (1-methylazepan-4-yl)-[1-[(5-methyl-2-furyl)methyl]benzimidazol-2-yl]amine; oxalate Formula: C24H26N4O9-4 MolecularWeight: 514.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C20H26N4O.2C2H2O4/c1-15-9-10-17(25-15)14-24-19-8-4-3-7-18(19)22-20(24)21-16-6-5-12-23(2)13-11-16;2*3-1(4)2(5)6/h3-4,7-10,16H,5-6,11-14H2,1-2H3,(H,21,22);2*(H,3,4)(H,5,6)/p-4