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

Systemtic Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C27H29FN4O2 MolecularWeight: 460.543163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29FN4O2/c1-2-34-26-30-24(22-5-3-4-6-23(22)28)32(31-26)21-9-7-20(8-10-21)29-25(33)27-14-17-11-18(15-27)13-19(12-17)16-27/h3-10,17-19H,2,11-16H2,1H3,(H,29,33)