[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone

Systemtic Name: [3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Openeye Name: [3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone CAS Name: [3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone IUPAC Name: [3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Traditional Name: [3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=CC=C3F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=CC=C3F

InChI

InChI=1S/C25H30FN3O2/c1-3-5-7-8-11-19-14-16-20(17-15-19)24(30)29-23(21-12-9-10-13-22(21)26)27-25(28-29)31-18-6-4-2/h9-10,12-17H,3-8,11,18H2,1-2H3