3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)adamantane-1-carboxamide Formula: C21H25BrN4O MolecularWeight: 429.3534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O/c1-13-3-14(2)5-17(4-13)24-18(27)20-7-15-6-16(8-20)10-21(9-15,11-20)26-12-23-19(22)25-26/h3-5,12,15-16H,6-11H2,1-2H3,(H,24,27)