N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(5-bromo-2-fluoro-phenyl)methyleneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(5-bromo-2-fluoro-benzylidene)amino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C19H16BrFN4O3 MolecularWeight: 447.257743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=C(C=CC(=C3)Br)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)F)OC

InChI

InChI=1S/C19H16BrFN4O3/c1-27-17-6-3-11(8-18(17)28-2)15-9-16(24-23-15)19(26)25-22-10-12-7-13(20)4-5-14(12)21/h3-10H,1-2H3,(H,23,24)(H,25,26)/b22-10+