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

Systemtic Name: methyl 4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C3C(C(=C)NC(=O)N3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C3C(C(=C)NC(=O)N3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c1-14-19(22(28)31-3)21(25-23(29)24-14)18-13-27(16-7-5-4-6-8-16)26-20(18)15-9-11-17(30-2)12-10-15/h4-13,19,21H,1H2,2-3H3,(H2,24,25,29)