methyl 4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)NC1=C)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C(NC(=O)NC1=C)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN4O3/c1-13-18(21(28)30-2)20(25-22(29)24-13)17-12-27(16-6-4-3-5-7-16)26-19(17)14-8-10-15(23)11-9-14/h3-12,18,20H,1H2,2H3,(H2,24,25,29)