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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=C(NN=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=C(NN=C3)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C20H16N4O3/c1-13-7-8-17-22-15(9-18(25)24(17)11-13)12-27-20(26)16-10-21-23-19(16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,23)