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

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(4-methoxy-2-methyl-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-methoxy-2-methyl-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-methoxy-2-methylphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-methoxy-2-methylphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-methoxy-2-methyl-phenyl)adamantane-1-carboxamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C21H25BrN4O2/c1-13-5-16(28-2)3-4-17(13)24-18(27)20-7-14-6-15(8-20)10-21(9-14,11-20)26-12-23-19(22)25-26/h3-5,12,14-15H,6-11H2,1-2H3,(H,24,27)