(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=O)N4C=CC=C(C4=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=O)N4C=CC=C(C4=N3)C

InChI

InChI=1S/C21H18N4O3/c1-13-5-7-15(8-6-13)17-11-18(24-23-17)21(27)28-12-16-10-19(26)25-9-3-4-14(2)20(25)22-16/h3-11H,12H2,1-2H3,(H,23,24)