N-[(3-bromanyl-4-butoxy-phenyl)methylideneamino]-N'-(2-fluorophenyl)-2-methyl-propanediamide

Systemtic Name: N-[(3-bromanyl-4-butoxy-phenyl)methylideneamino]-N'-(2-fluorophenyl)-2-methyl-propanediamide Openeye Name: N-[(3-bromo-4-butoxy-phenyl)methyleneamino]-N'-(2-fluorophenyl)-2-methyl-propanediamide CAS Name: N-[(3-bromo-4-butoxyphenyl)methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide IUPAC Name: N-[(3-bromo-4-butoxyphenyl)methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide Traditional Name: N-[(3-bromo-4-butoxy-benzylidene)amino]-N'-(2-fluorophenyl)-2-methyl-malonamide Formula: C21H23BrFN3O3 MolecularWeight: 464.328023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=O)C(C)C(=O)NC2=CC=CC=C2F)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=NNC(=O)C(C)C(=O)NC2=CC=CC=C2F)Br

InChI

InChI=1S/C21H23BrFN3O3/c1-3-4-11-29-19-10-9-15(12-16(19)22)13-24-26-21(28)14(2)20(27)25-18-8-6-5-7-17(18)23/h5-10,12-14H,3-4,11H2,1-2H3,(H,25,27)(H,26,28)