1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-[(4-fluorobenzyl)amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C20H21FN4O MolecularWeight: 352.405343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O/c1-3-4-18(26)25-20(22-13-15-7-11-17(21)12-8-15)23-19(24-25)16-9-5-14(2)6-10-16/h5-12H,3-4,13H2,1-2H3,(H,22,23,24)