7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethyl-4-nitro-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethyl-4-nitro-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[5-[(1-ethanimidoyl-4-piperidyl)oxy]-2-ethyl-4-nitro-benzimidazol-1-yl]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[2-ethyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-4-nitro-1-benzimidazolyl]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethyl-4-nitrobenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-ethyl-4-nitro-benzimidazol-1-yl]methyl]-2-naphthamidine Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=CC(=C2[N+](=O)[O-])OC5CCN(CC5)C(=N)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=CC(=C2[N+](=O)[O-])OC5CCN(CC5)C(=N)C

InChI

InChI=1S/C28H31N7O3/c1-3-25-32-26-23(34(25)16-18-4-5-19-6-7-20(28(30)31)15-21(19)14-18)8-9-24(27(26)35(36)37)38-22-10-12-33(13-11-22)17(2)29/h4-9,14-15,22,29H,3,10-13,16H2,1-2H3,(H3,30,31)