2-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]-1-benzofuran-5-carboximidamide dihydrochloride

Systemtic Name: 2-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]-1-benzofuran-5-carboximidamide dihydrochloride Openeye Name: 2-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]benzofuran-5-carboxamidine dihydrochloride CAS Name: 2-[2-[4-(1-imidazolylmethyl)phenyl]ethyl]-5-benzofurancarboximidamide dihydrochloride IUPAC Name: 2-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]-1-benzofuran-5-carboximidamide dihydrochloride Traditional Name: 2-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]benzofuran-5-carboxamidine dihydrochloride Formula: C21H22Cl2N4O MolecularWeight: 417.33158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC3=C(O2)C=CC(=C3)C(=N)N)CN4C=CN=C4.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC3=C(O2)C=CC(=C3)C(=N)N)CN4C=CN=C4.Cl.Cl

InChI

InChI=1S/C21H20N4O.2ClH/c22-21(23)17-6-8-20-18(11-17)12-19(26-20)7-5-15-1-3-16(4-2-15)13-25-10-9-24-14-25;;/h1-4,6,8-12,14H,5,7,13H2,(H3,22,23);2*1H