N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxy-benzamide

Systemtic Name: N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxy-benzamide CAS Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide Traditional Name: N-[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]-2,3,4-trimethoxy-benzamide Formula: C20H19BrFN3O4 MolecularWeight: 464.284963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C20H19BrFN3O4/c1-27-16-9-8-14(17(28-2)18(16)29-3)20(26)23-19-15(21)11-25(24-19)10-12-4-6-13(22)7-5-12/h4-9,11H,10H2,1-3H3,(H,23,24,26)