3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[1-(4-butan-2-ylphenyl)ethyl]adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[1-(4-butan-2-ylphenyl)ethyl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-sec-butylphenyl)ethyl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-butan-2-ylphenyl)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-butan-2-ylphenyl)ethyl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-sec-butylphenyl)ethyl]adamantane-1-carboxamide Formula: C25H33BrN4O MolecularWeight: 485.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN4O/c1-4-16(2)20-5-7-21(8-6-20)17(3)28-22(31)24-10-18-9-19(11-24)13-25(12-18,14-24)30-15-27-23(26)29-30/h5-8,15-19H,4,9-14H2,1-3H3,(H,28,31)