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

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]adamantane-1-carboxamide Formula: C26H35BrN4O MolecularWeight: 499.4863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN4O/c1-4-17(3)20-6-8-21(9-7-20)22(5-2)29-23(32)25-11-18-10-19(12-25)14-26(13-18,15-25)31-16-28-24(27)30-31/h6-9,16-19,22H,4-5,10-15H2,1-3H3,(H,29,32)