6-(3,5-dimethylpyrazol-1-yl)carbonyl-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)carbonyl-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-(3,5-dimethylpyrazole-1-carbonyl)-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one CAS Name: 6-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(3,5-dimethylpyrazole-1-carbonyl)-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-(3,5-dimethylpyrazole-1-carbonyl)-4-(4-fluorobenzyl)-1,4-benzoxazin-3-one Formula: C21H18FN3O3 MolecularWeight: 379.384323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=CC3=C(C=C2)OCC(=O)N3CC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=CC3=C(C=C2)OCC(=O)N3CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H18FN3O3/c1-13-9-14(2)25(23-13)21(27)16-5-8-19-18(10-16)24(20(26)12-28-19)11-15-3-6-17(22)7-4-15/h3-10H,11-12H2,1-2H3