4-[[5-fluoranyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[[5-fluoranyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[(5-fluoro-1-isopentyl-benzimidazol-2-yl)methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[5-fluoro-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[5-fluoro-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[(5-fluoro-1-isoamyl-benzimidazol-2-yl)methyl]-1,4-benzoxazin-3-one Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)F)N=C1CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)F)N=C1CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C21H22FN3O2/c1-14(2)9-10-24-17-8-7-15(22)11-16(17)23-20(24)12-25-18-5-3-4-6-19(18)27-13-21(25)26/h3-8,11,14H,9-10,12-13H2,1-2H3