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

Systemtic Name: N-[4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C30H36N4O3 MolecularWeight: 500.63184

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NN(C(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOCCOC1=NN(C(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H36N4O3/c1-3-36-12-13-37-29-32-27(24-6-4-20(2)5-7-24)34(33-29)26-10-8-25(9-11-26)31-28(35)30-17-21-14-22(18-30)16-23(15-21)19-30/h4-11,21-23H,3,12-19H2,1-2H3,(H,31,35)