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

Systemtic Name: 4-butyl-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Openeye Name: 4-butyl-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide CAS Name: 4-butyl-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide IUPAC Name: 4-butyl-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Traditional Name: 4-butyl-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Formula: C27H27FN4O2 MolecularWeight: 458.527283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OCC)C4=CC(=CC=C4)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OCC)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H27FN4O2/c1-3-5-7-19-10-12-20(13-11-19)26(33)29-23-14-16-24(17-15-23)32-25(30-27(31-32)34-4-2)21-8-6-9-22(28)18-21/h6,8-18H,3-5,7H2,1-2H3,(H,29,33)