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

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4O3/c1-12-3-2-4-18-22-15(9-19(26)25(12)18)11-28-20(27)17-10-16(23-24-17)13-5-7-14(21)8-6-13/h2-10H,11H2,1H3,(H,23,24)