3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br

InChI

InChI=1S/C21H23BrN4O3/c22-19-23-12-26(25-19)21-9-13-5-14(10-21)8-20(7-13,11-21)18(27)24-15-1-2-16-17(6-15)29-4-3-28-16/h1-2,6,12-14H,3-5,7-11H2,(H,24,27)