ethyl 6-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-bromo-4-fluoro-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-bromo-4-fluoro-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H18BrFN2O3 MolecularWeight: 409.249523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)F)Br)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)F)Br)C(=O)OCC

InChI

InChI=1S/C18H18BrFN2O3/c1-3-5-14-16(18(23)24-4-2)15(11(9-21)17(22)25-14)10-6-7-13(20)12(19)8-10/h6-8,15H,3-5,22H2,1-2H3