4-[(2R)-3-(4-butylidenepiperidin-1-yl)-2-methyl-propyl]-6-fluoranyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[(2R)-3-(4-butylidenepiperidin-1-yl)-2-methyl-propyl]-6-fluoranyl-1,4-benzoxazin-3-one Openeye Name: 4-[(2R)-3-(4-butylidene-1-piperidyl)-2-methyl-propyl]-6-fluoro-1,4-benzoxazin-3-one CAS Name: 4-[(2R)-3-(4-butylidene-1-piperidinyl)-2-methylpropyl]-6-fluoro-1,4-benzoxazin-3-one IUPAC Name: 4-[(2R)-3-(4-butylidenepiperidin-1-yl)-2-methylpropyl]-6-fluoro-1,4-benzoxazin-3-one Traditional Name: 4-[(2R)-3-(4-butylidenepiperidino)-2-methyl-propyl]-6-fluoro-1,4-benzoxazin-3-one Formula: C21H29FN2O2 MolecularWeight: 360.465563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1CCN(CC1)CC(C)CN2C(=O)COC3=C2C=C(C=C3)F

Isomeric SMILES

CCCC=C1CCN(CC1)C[C@@H](C)CN2C(=O)COC3=C2C=C(C=C3)F

InChI

InChI=1S/C21H29FN2O2/c1-3-4-5-17-8-10-23(11-9-17)13-16(2)14-24-19-12-18(22)6-7-20(19)26-15-21(24)25/h5-7,12,16H,3-4,8-11,13-15H2,1-2H3/t16-/m1/s1