N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-5-bromo-furan-2-carboxamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-5-bromofuran-2-carboxamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-5-bromo-2-furamide Formula: C23H23BrN4O2 MolecularWeight: 467.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C6=CC=C(O6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C6=CC=C(O6)Br

InChI

InChI=1S/C23H23BrN4O2/c24-21-6-5-19(30-21)22(29)26-17-1-3-18(4-2-17)28-20(13-25-27-28)23-10-14-7-15(11-23)9-16(8-14)12-23/h1-6,13-16H,7-12H2,(H,26,29)