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

Systemtic Name: N-(4-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(4-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(4-bromophenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(4-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(4-bromophenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C19H21BrN4O MolecularWeight: 401.30024

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C19H21BrN4O/c20-15-1-3-16(4-2-15)23-17(25)18-6-13-5-14(7-18)9-19(8-13,10-18)24-12-21-11-22-24/h1-4,11-14H,5-10H2,(H,23,25)