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

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2-butylphenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-butylphenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-butylphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-butylphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-butylphenyl)adamantane-1-carboxamide Formula: C23H29BrN4O MolecularWeight: 457.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C23H29BrN4O/c1-2-3-6-18-7-4-5-8-19(18)26-20(29)22-10-16-9-17(11-22)13-23(12-16,14-22)28-15-25-21(24)27-28/h4-5,7-8,15-17H,2-3,6,9-14H2,1H3,(H,26,29)