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

Systemtic Name: methyl 3-[3-cyano-2-methoxy-6-(4-methylphenyl)pyridin-4-yl]azulene-1-carboxylate Openeye Name: methyl 3-[3-cyano-2-methoxy-6-(p-tolyl)-4-pyridyl]azulene-1-carboxylate CAS Name: 3-[3-cyano-2-methoxy-6-(4-methylphenyl)-4-pyridinyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-cyano-2-methoxy-6-(4-methylphenyl)pyridin-4-yl]azulene-1-carboxylate Traditional Name: 3-[3-cyano-2-methoxy-6-(p-tolyl)-4-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C4C3=CC=CC=C4)C(=O)OC)C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C4C3=CC=CC=C4)C(=O)OC)C#N)OC

InChI

InChI=1S/C26H20N2O3/c1-16-9-11-17(12-10-16)24-14-21(23(15-27)25(28-24)30-2)20-13-22(26(29)31-3)19-8-6-4-5-7-18(19)20/h4-14H,1-3H3