N-[(3-fluorophenyl)-phenyl-methyl]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamine dihydrochloride

Systemtic Name: N-[(3-fluorophenyl)-phenyl-methyl]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamine dihydrochloride Openeye Name: N-[(3-fluorophenyl)-phenyl-methyl]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamine dihydrochloride CAS Name: N-[(3-fluorophenyl)-phenylmethyl]-2-(2-methyl-5-nitro-1-imidazolyl)ethanamine dihydrochloride IUPAC Name: N-[(3-fluorophenyl)-phenylmethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanamine dihydrochloride Traditional Name: [(3-fluorophenyl)-phenyl-methyl]-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amine dihydrochloride Formula: C19H21Cl2FN4O2 MolecularWeight: 427.300043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(C2=CC=CC=C2)C3=CC(=CC=C3)F)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CC1=NC=C(N1CCNC(C2=CC=CC=C2)C3=CC(=CC=C3)F)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C19H19FN4O2.2ClH/c1-14-22-13-18(24(25)26)23(14)11-10-21-19(15-6-3-2-4-7-15)16-8-5-9-17(20)12-16;;/h2-9,12-13,19,21H,10-11H2,1H3;2*1H