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

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)adamantane-1-carboxamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC

InChI

InChI=1S/C21H25BrN4O3/c1-28-16-4-3-15(6-17(16)29-2)24-18(27)20-7-13-5-14(8-20)10-21(9-13,11-20)26-12-23-19(22)25-26/h3-4,6,12-14H,5,7-11H2,1-2H3,(H,24,27)