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

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C29H36N4O/c34-27(29-14-21-8-22(15-29)10-23(9-21)16-29)31-24-1-3-25(4-2-24)33-26(17-30-32-33)28-11-18-5-19(12-28)7-20(6-18)13-28/h1-4,17-23H,5-16H2,(H,31,34)