3-[4-[1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl]piperazin-1-yl]-2H-1,2-benzoxazol-6-one hydrobromide

Systemtic Name: 3-[4-[1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl]piperazin-1-yl]-2H-1,2-benzoxazol-6-one hydrobromide Openeye Name: 3-[4-[1-(4-fluorobenzoyl)propyl]piperazin-1-yl]-2H-1,2-benzoxazol-6-one hydrobromide CAS Name: 3-[4-[1-(4-fluorophenyl)-1-oxobutan-2-yl]-1-piperazinyl]-2H-1,2-benzoxazol-6-one hydrobromide IUPAC Name: 3-[4-[1-(4-fluorophenyl)-1-oxobutan-2-yl]piperazin-1-yl]-2H-1,2-benzoxazol-6-one hydrobromide Traditional Name: 3-[4-[1-(4-fluorobenzoyl)propyl]piperazino]-2H-indoxazen-6-one hydrobromide Formula: C21H23BrFN3O3 MolecularWeight: 464.328023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)F)N2CCN(CC2)C3=C4C=CC(=O)C=C4ON3.Br

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)F)N2CCN(CC2)C3=C4C=CC(=O)C=C4ON3.Br

InChI

InChI=1S/C21H22FN3O3.BrH/c1-2-18(20(27)14-3-5-15(22)6-4-14)24-9-11-25(12-10-24)21-17-8-7-16(26)13-19(17)28-23-21;/h3-8,13,18,23H,2,9-12H2,1H3;1H