1-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-2-phenylazanyl-ethanone

Systemtic Name: 1-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-2-phenylazanyl-ethanone Openeye Name: 1-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-2-anilino-ethanone CAS Name: 1-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-2-anilinoethanone IUPAC Name: 1-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-2-anilinoethanone Traditional Name: 1-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-2-anilino-ethanone Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)C(=O)CNC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)C(=O)CNC6=CC=CC=C6

InChI

InChI=1S/C26H28N4O/c31-24(16-27-22-4-2-1-3-5-22)21-6-8-23(9-7-21)30-25(17-28-29-30)26-13-18-10-19(14-26)12-20(11-18)15-26/h1-9,17-20,27H,10-16H2