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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic 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 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-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=CN2C1=NC(=CC2=O)COC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

InChI

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