propyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: propyl 4-(2-bromo-4-fluoro-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-bromo-4-fluorophenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid propyl ester IUPAC Name: propyl 4-(2-bromo-4-fluorophenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-bromo-4-fluoro-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid propyl ester Formula: C20H22BrFN2O2 MolecularWeight: 421.303283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)Br)C(=O)OCCC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)Br)C(=O)OCCC

InChI

InChI=1S/C20H22BrFN2O2/c1-4-6-17-19(20(25)26-9-5-2)18(15(11-23)12(3)24-17)14-8-7-13(22)10-16(14)21/h7-8,10,18,24H,4-6,9H2,1-3H3