6-[5-(4-fluorophenyl)-3-methyl-1-(4-phenylmethoxybutyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(4-phenylmethoxybutyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[1-(4-benzyloxybutyl)-5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(4-phenylmethoxybutyl)-4-pyrazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(4-phenylmethoxybutyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[1-(4-benzoxybutyl)-5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Formula: C29H28FN3O3 MolecularWeight: 485.549323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CCCCOCC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CCCCOCC5=CC=CC=C5

InChI

InChI=1S/C29H28FN3O3/c1-20-28(23-11-14-26-25(17-23)31-27(34)19-36-26)29(22-9-12-24(30)13-10-22)33(32-20)15-5-6-16-35-18-21-7-3-2-4-8-21/h2-4,7-14,17H,5-6,15-16,18-19H2,1H3,(H,31,34)