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

Systemtic Name: methyl 3-(5-cyano-6-methoxy-4-phenyl-pyridin-2-yl)azulene-1-carboxylate Openeye Name: methyl 3-(5-cyano-6-methoxy-4-phenyl-2-pyridyl)azulene-1-carboxylate CAS Name: 3-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-cyano-6-methoxy-4-phenylpyridin-2-yl)azulene-1-carboxylate Traditional Name: 3-(5-cyano-6-methoxy-4-phenyl-2-pyridyl)azulene-1-carboxylic acid methyl ester Formula: C25H18N2O3 MolecularWeight: 394.42202

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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=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O3/c1-29-24-22(15-26)19(16-9-5-3-6-10-16)14-23(27-24)20-13-21(25(28)30-2)18-12-8-4-7-11-17(18)20/h3-14H,1-2H3