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

Systemtic Name: 4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-7-nitro-2-propan-2-yl-benzimidazol-1-yl]methyl]naphthalene-1-carboximidamide Openeye Name: 4-[[6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-7-nitro-benzimidazol-1-yl]methyl]naphthalene-1-carboxamidine CAS Name: 4-[[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-7-nitro-2-propan-2-yl-1-benzimidazolyl]methyl]-1-naphthalenecarboximidamide IUPAC Name: 4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-7-nitro-2-propan-2-ylbenzimidazol-1-yl]methyl]naphthalene-1-carboximidamide Traditional Name: 4-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-2-isopropyl-7-nitro-benzimidazol-1-yl]methyl]-1-naphthamidine Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C29H33N7O3/c1-17(2)29-33-24-10-11-25(39-20-12-14-34(15-13-20)18(3)30)27(36(37)38)26(24)35(29)16-19-8-9-23(28(31)32)22-7-5-4-6-21(19)22/h4-11,17,20,30H,12-16H2,1-3H3,(H3,31,32)