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

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: (7-chloro-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 (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-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 (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C20H15ClN4O3/c1-12-2-4-13(5-3-12)16-9-17(24-23-16)20(27)28-11-15-8-19(26)25-10-14(21)6-7-18(25)22-15/h2-10H,11H2,1H3,(H,23,24)