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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-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 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-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=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c1-15-6-5-9-25-19(26)10-18(23-20(15)25)14-28-21(27)17-11-22-24(13-17)12-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3