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

Systemtic Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-4-nitro-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[5-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-4-nitro-benzimidazol-1-yl]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-4-nitro-1-benzimidazolyl]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-4-nitrobenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-methyl-4-nitro-benzimidazol-1-yl]methyl]-2-naphthamidine Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30)