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

Systemtic Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[3-ethoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[3-ethoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CC=C2C)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CC=C2C)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N4O2/c1-3-34-27-30-25(24-7-5-4-6-18(24)2)32(31-27)23-10-8-22(9-11-23)29-26(33)28-15-19-12-20(16-28)14-21(13-19)17-28/h4-11,19-21H,3,12-17H2,1-2H3,(H,29,33)