N-(2-methoxy-5-methyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-13-3-4-17(30-2)16(5-13)23-18(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-12-22-19(24-25)26(28)29/h3-5,12,14-15H,6-11H2,1-2H3,(H,23,27)