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

Systemtic Name: N-cyclooctyl-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-cyclooctyl-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-cyclooctyl-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-cyclooctyl-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-cyclooctyl-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O3/c27-18(23-17-6-4-2-1-3-5-7-17)20-9-15-8-16(10-20)12-21(11-15,13-20)25-14-22-19(24-25)26(28)29/h14-17H,1-13H2,(H,23,27)