methyl 4-[2-azanyl-6-(4-bromophenyl)-3-cyano-5-methyl-pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-6-(4-bromophenyl)-3-cyano-5-methyl-pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridyl]benzoate CAS Name: 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methylpyridin-4-yl]benzoate Traditional Name: 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridyl]benzoic acid methyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrN3O2/c1-12-18(13-3-5-15(6-4-13)21(26)27-2)17(11-23)20(24)25-19(12)14-7-9-16(22)10-8-14/h3-10H,1-2H3,(H2,24,25)