N-(1-adamantylmethyl)-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3/c26-20(23-12-21-9-14-5-15(10-21)7-16(6-14)11-21)17-1-2-18(19(8-17)25(27)28)24-4-3-22-13-24/h1-4,8,13-16H,5-7,9-12H2,(H,23,26)