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

Systemtic Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(3-thienylmethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(3-thiophenylmethyl)-4-pyrazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(3-thenyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Formula: C23H18FN3O2S MolecularWeight: 419.471323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CC5=CSC=C5

Isomeric SMILES

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CC5=CSC=C5

InChI

InChI=1S/C23H18FN3O2S/c1-14-22(17-4-7-20-19(10-17)25-21(28)12-29-20)23(16-2-5-18(24)6-3-16)27(26-14)11-15-8-9-30-13-15/h2-10,13H,11-12H2,1H3,(H,25,28)