3-(aminomethyl)-N-(2-azanylbenzimidazol-2-yl)benzamide; ethanoic acid

Systemtic Name: 3-(aminomethyl)-N-(2-azanylbenzimidazol-2-yl)benzamide; ethanoic acid Openeye Name: acetic acid; N-(2-aminobenzimidazol-2-yl)-3-(aminomethyl)benzamide CAS Name: acetic acid; N-(2-amino-2-benzimidazolyl)-3-(aminomethyl)benzamide IUPAC Name: acetic acid; N-(2-aminobenzimidazol-2-yl)-3-(aminomethyl)benzamide Traditional Name: acetic acid; N-(2-aminobenzimidazol-2-yl)-3-(aminomethyl)benzamide Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=NC(N=C2C=C1)(N)NC(=O)C3=CC(=CC=C3)CN

Isomeric SMILES

CC(=O)O.C1=CC2=NC(N=C2C=C1)(N)NC(=O)C3=CC(=CC=C3)CN

InChI

InChI=1S/C15H15N5O.C2H4O2/c16-9-10-4-3-5-11(8-10)14(21)20-15(17)18-12-6-1-2-7-13(12)19-15;1-2(3)4/h1-8H,9,16-17H2,(H,20,21);1H3,(H,3,4)