N-(1-adamantyl)-2-(2-methoxy-4-nitro-phenyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(2-methoxy-4-nitro-phenyl)-3H-benzimidazole-5-carboxamide Openeye Name: N-(1-adamantyl)-2-(2-methoxy-4-nitro-phenyl)-3H-benzimidazole-5-carboxamide CAS Name: N-(1-adamantyl)-2-(2-methoxy-4-nitrophenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-adamantyl)-2-(2-methoxy-4-nitrophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: N-(1-adamantyl)-2-(2-methoxy-4-nitro-phenyl)-3H-benzimidazole-5-carboxamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H26N4O4/c1-33-22-10-18(29(31)32)3-4-19(22)23-26-20-5-2-17(9-21(20)27-23)24(30)28-25-11-14-6-15(12-25)8-16(7-14)13-25/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H,26,27)(H,28,30)