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

Systemtic Name: 1-[3,5-bis[(4-fluorophenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[3,5-bis[(4-fluorophenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3,5-bis[(4-fluorophenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[3,5-bis[(4-fluorophenyl)methylamino]-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[3,5-bis[(4-fluorobenzyl)amino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C21H23F2N5O MolecularWeight: 399.437026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23F2N5O/c1-14(2)11-19(29)28-21(25-13-16-5-9-18(23)10-6-16)26-20(27-28)24-12-15-3-7-17(22)8-4-15/h3-10,14H,11-13H2,1-2H3,(H2,24,25,26,27)