methyl 1-[(4-methylphenyl)methyl]-4-oxidanylidene-2,6-dipyridin-2-yl-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(4-methylphenyl)methyl]-4-oxidanylidene-2,6-dipyridin-2-yl-pyridine-3-carboxylate Openeye Name: methyl 4-oxo-1-(p-tolylmethyl)-2,6-bis(2-pyridyl)pyridine-3-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-4-oxo-2,6-bis(2-pyridinyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-methylphenyl)methyl]-4-oxo-2,6-dipyridin-2-ylpyridine-3-carboxylate Traditional Name: 4-keto-1-(4-methylbenzyl)-2,6-bis(2-pyridyl)nicotinic acid methyl ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC(=O)C(=C2C3=CC=CC=N3)C(=O)OC)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC(=O)C(=C2C3=CC=CC=N3)C(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C25H21N3O3/c1-17-9-11-18(12-10-17)16-28-21(19-7-3-5-13-26-19)15-22(29)23(25(30)31-2)24(28)20-8-4-6-14-27-20/h3-15H,16H2,1-2H3