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

Systemtic Name: 3-[4-[1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl]-1,4-diazepan-1-yl]-2H-1,2-benzoxazol-6-one Openeye Name: 3-[4-[1-(4-fluorobenzoyl)propyl]-1,4-diazepan-1-yl]-2H-1,2-benzoxazol-6-one CAS Name: 3-[4-[1-(4-fluorophenyl)-1-oxobutan-2-yl]-1,4-diazepan-1-yl]-2H-1,2-benzoxazol-6-one IUPAC Name: 3-[4-[1-(4-fluorophenyl)-1-oxobutan-2-yl]-1,4-diazepan-1-yl]-2H-1,2-benzoxazol-6-one Traditional Name: 3-[4-[1-(4-fluorobenzoyl)propyl]-1,4-diazepan-1-yl]-2H-indoxazen-6-one Formula: C22H24FN3O3 MolecularWeight: 397.442663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)F)N2CCCN(CC2)C3=C4C=CC(=O)C=C4ON3

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)F)N2CCCN(CC2)C3=C4C=CC(=O)C=C4ON3

InChI

InChI=1S/C22H24FN3O3/c1-2-19(21(28)15-4-6-16(23)7-5-15)25-10-3-11-26(13-12-25)22-18-9-8-17(27)14-20(18)29-24-22/h4-9,14,19,24H,2-3,10-13H2,1H3