6-[5-[2-(2-fluorophenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[5-[2-(2-fluorophenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-[2-(2-fluorophenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-[2-(2-fluorophenyl)ethyl-methylamino]-1-oxopentyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-[2-(2-fluorophenyl)ethyl-methylamino]pentanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-[2-(2-fluorophenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)CCC3=CC=CC=C3F

Isomeric SMILES

CN(CCCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)CCC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O3/c1-25(13-11-16-6-2-3-7-18(16)23)12-5-4-8-20(26)17-9-10-21-19(14-17)24-22(27)15-28-21/h2-3,6-7,9-10,14H,4-5,8,11-13,15H2,1H3,(H,24,27)