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

Systemtic Name: 6-[5-(4-fluorophenyl)-1,3-dimethyl-pyrazol-4-yl]-5-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-(4-fluorophenyl)-1,3-dimethyl-pyrazol-4-yl]-5-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-(4-fluorophenyl)-1,3-dimethyl-4-pyrazolyl]-5-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-(4-fluorophenyl)-1,3-dimethyl-pyrazol-4-yl]-5-methyl-4H-1,4-benzoxazin-3-one Formula: C20H18FN3O2 MolecularWeight: 351.374223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1NC(=O)CO2)C3=C(N(N=C3C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC2=C1NC(=O)CO2)C3=C(N(N=C3C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O2/c1-11-15(8-9-16-19(11)22-17(25)10-26-16)18-12(2)23-24(3)20(18)13-4-6-14(21)7-5-13/h4-9H,10H2,1-3H3,(H,22,25)