4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-7-nitro-benzimidazol-1-yl]methyl]naphthalene-1-carboximidamide

Systemtic Name: 4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-7-nitro-benzimidazol-1-yl]methyl]naphthalene-1-carboximidamide Openeye Name: 4-[[6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-7-nitro-benzimidazol-1-yl]methyl]naphthalene-1-carboxamidine CAS Name: 4-[[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-7-nitro-1-benzimidazolyl]methyl]-1-naphthalenecarboximidamide IUPAC Name: 4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-7-nitrobenzimidazol-1-yl]methyl]naphthalene-1-carboximidamide Traditional Name: 4-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-2-methyl-7-nitro-benzimidazol-1-yl]methyl]-1-naphthamidine Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C(=C(C=C2)OC5CCN(CC5)C(=N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C(=C(C=C2)OC5CCN(CC5)C(=N)C)[N+](=O)[O-]

InChI

InChI=1S/C27H29N7O3/c1-16(28)32-13-11-19(12-14-32)37-24-10-9-23-25(26(24)34(35)36)33(17(2)31-23)15-18-7-8-22(27(29)30)21-6-4-3-5-20(18)21/h3-10,19,28H,11-15H2,1-2H3,(H3,29,30)