3-(2-fluorophenyl)-2-[3-(hexoxymethyl)phenyl]-1,3-dihydro-1,2,4-triazole-5-carboxamide

Systemtic Name: 3-(2-fluorophenyl)-2-[3-(hexoxymethyl)phenyl]-1,3-dihydro-1,2,4-triazole-5-carboxamide Openeye Name: 3-(2-fluorophenyl)-2-[3-(hexoxymethyl)phenyl]-1,3-dihydro-1,2,4-triazole-5-carboxamide CAS Name: 3-(2-fluorophenyl)-2-[3-(hexoxymethyl)phenyl]-1,3-dihydro-1,2,4-triazole-5-carboxamide IUPAC Name: 3-(2-fluorophenyl)-2-[3-(hexoxymethyl)phenyl]-1,3-dihydro-1,2,4-triazole-5-carboxamide Traditional Name: 3-(2-fluorophenyl)-2-[3-(hexoxymethyl)phenyl]-1,3-dihydro-1,2,4-triazole-5-carboxamide Formula: C22H27FN4O2 MolecularWeight: 398.473783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=CC(=CC=C1)N2C(N=C(N2)C(=O)N)C3=CC=CC=C3F

Isomeric SMILES

CCCCCCOCC1=CC(=CC=C1)N2C(N=C(N2)C(=O)N)C3=CC=CC=C3F

InChI

InChI=1S/C22H27FN4O2/c1-2-3-4-7-13-29-15-16-9-8-10-17(14-16)27-22(25-21(26-27)20(24)28)18-11-5-6-12-19(18)23/h5-6,8-12,14,22H,2-4,7,13,15H2,1H3,(H2,24,28)(H,25,26)