3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-6-(3-fluorophenyl)carbonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-6-(3-fluorophenyl)carbonyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-6-(3-fluorobenzoyl)-1,3-benzoxazol-2-one CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-6-[(3-fluorophenyl)-oxomethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-6-(3-fluorobenzoyl)-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-acetylphenyl)piperazino]methyl]-6-(3-fluorobenzoyl)-1,3-benzoxazol-2-one Formula: C27H24FN3O4 MolecularWeight: 473.495563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=C(C=C4)C(=O)C5=CC(=CC=C5)F)OC3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=C(C=C4)C(=O)C5=CC(=CC=C5)F)OC3=O

InChI

InChI=1S/C27H24FN3O4/c1-18(32)19-5-8-23(9-6-19)30-13-11-29(12-14-30)17-31-24-10-7-21(16-25(24)35-27(31)34)26(33)20-3-2-4-22(28)15-20/h2-10,15-16H,11-14,17H2,1H3