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

Systemtic Name: methyl 3-[5-cyano-4-(3,4-dichlorophenyl)-6-methoxy-pyridin-2-yl]azulene-1-carboxylate Openeye Name: methyl 3-[5-cyano-4-(3,4-dichlorophenyl)-6-methoxy-2-pyridyl]azulene-1-carboxylate CAS Name: 3-[5-cyano-4-(3,4-dichlorophenyl)-6-methoxy-2-pyridinyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-cyano-4-(3,4-dichlorophenyl)-6-methoxypyridin-2-yl]azulene-1-carboxylate Traditional Name: 3-[5-cyano-4-(3,4-dichlorophenyl)-6-methoxy-2-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C25H16Cl2N2O3 MolecularWeight: 463.31214

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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)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)Cl)C#N

InChI

InChI=1S/C25H16Cl2N2O3/c1-31-24-20(13-28)17(14-8-9-21(26)22(27)10-14)12-23(29-24)18-11-19(25(30)32-2)16-7-5-3-4-6-15(16)18/h3-12H,1-2H3