(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic 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 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C27H22N4O4/c1-18-11-12-24-28-20(14-25(32)30(24)15-18)17-35-27(33)23-16-31(21-8-4-3-5-9-21)29-26(23)19-7-6-10-22(13-19)34-2/h3-16H,17H2,1-2H3