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

Systemtic Name: 5-(2-fluorophenyl)-1-[3-(3-methylbutoxymethyl)phenyl]-1,2,4-triazole-3-carboxamide Openeye Name: 5-(2-fluorophenyl)-1-[3-(isopentyloxymethyl)phenyl]-1,2,4-triazole-3-carboxamide CAS Name: 5-(2-fluorophenyl)-1-[3-(3-methylbutoxymethyl)phenyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 5-(2-fluorophenyl)-1-[3-(3-methylbutoxymethyl)phenyl]-1,2,4-triazole-3-carboxamide Traditional Name: 5-(2-fluorophenyl)-1-[3-(isoamoxymethyl)phenyl]-1,2,4-triazole-3-carboxamide Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=CC(=CC=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3F

Isomeric SMILES

CC(C)CCOCC1=CC(=CC=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3F

InChI

InChI=1S/C21H23FN4O2/c1-14(2)10-11-28-13-15-6-5-7-16(12-15)26-21(24-20(25-26)19(23)27)17-8-3-4-9-18(17)22/h3-9,12,14H,10-11,13H2,1-2H3,(H2,23,27)