N-(3,5-dimethoxyphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N5O5/c1-30-16-4-15(5-17(6-16)31-2)23-18(27)20-7-13-3-14(8-20)10-21(9-13,11-20)25-12-22-19(24-25)26(28)29/h4-6,12-14H,3,7-11H2,1-2H3,(H,23,27)