methyl 3-[4-(4-chlorophenyl)-5-cyano-6-methoxy-pyridin-2-yl]azulene-1-carboxylate

Systemtic Name: methyl 3-[4-(4-chlorophenyl)-5-cyano-6-methoxy-pyridin-2-yl]azulene-1-carboxylate Openeye Name: methyl 3-[4-(4-chlorophenyl)-5-cyano-6-methoxy-2-pyridyl]azulene-1-carboxylate CAS Name: 3-[4-(4-chlorophenyl)-5-cyano-6-methoxy-2-pyridinyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenyl)-5-cyano-6-methoxypyridin-2-yl]azulene-1-carboxylate Traditional Name: 3-[4-(4-chlorophenyl)-5-cyano-6-methoxy-2-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C25H17ClN2O3 MolecularWeight: 428.86708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=N1)C2=CC(=C3C2=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=C(C(=CC(=N1)C2=CC(=C3C2=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C25H17ClN2O3/c1-30-24-22(14-27)19(15-8-10-16(26)11-9-15)13-23(28-24)20-12-21(25(29)31-2)18-7-5-3-4-6-17(18)20/h3-13H,1-2H3