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

Systemtic Name: N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-5-(3,4-dimethoxyphenyl)pyrazolidine-3-carboxamide Openeye Name: N-[(E)-(5-bromo-2-fluoro-phenyl)methyleneamino]-5-(3,4-dimethoxyphenyl)pyrazolidine-3-carboxamide CAS Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-(3,4-dimethoxyphenyl)-3-pyrazolidinecarboxamide IUPAC Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-(3,4-dimethoxyphenyl)pyrazolidine-3-carboxamide Traditional Name: N-[(E)-(5-bromo-2-fluoro-benzylidene)amino]-5-(3,4-dimethoxyphenyl)pyrazolidine-3-carboxamide Formula: C19H20BrFN4O3 MolecularWeight: 451.289503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(NN2)C(=O)NN=CC3=C(C=CC(=C3)Br)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(NN2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)F)OC

InChI

InChI=1S/C19H20BrFN4O3/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/h3-8,10,15-16,23-24H,9H2,1-2H3,(H,25,26)/b22-10+