4-[3-(4-butylpiperidin-1-yl)-2-methyl-propyl]-7-fluoranyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-(4-butylpiperidin-1-yl)-2-methyl-propyl]-7-fluoranyl-1,4-benzoxazin-3-one Openeye Name: 4-[3-(4-butyl-1-piperidyl)-2-methyl-propyl]-7-fluoro-1,4-benzoxazin-3-one CAS Name: 4-[3-(4-butyl-1-piperidinyl)-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one IUPAC Name: 4-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-butylpiperidino)-2-methyl-propyl]-7-fluoro-1,4-benzoxazin-3-one Formula: C21H31FN2O2 MolecularWeight: 362.481443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)CC(C)CN2C(=O)COC3=C2C=CC(=C3)F

Isomeric SMILES

CCCCC1CCN(CC1)CC(C)CN2C(=O)COC3=C2C=CC(=C3)F

InChI

InChI=1S/C21H31FN2O2/c1-3-4-5-17-8-10-23(11-9-17)13-16(2)14-24-19-7-6-18(22)12-20(19)26-15-21(24)25/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3