prop-2-enyl (4R,5S)-4-[3-(3-chloranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: prop-2-enyl (4R,5S)-4-[3-(3-chloranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (4R,5S)-4-[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S)-4-[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2[C@H]3[C@@H](C(=C)NC(=O)N3)C(=O)OCC=C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H23ClN4O4/c1-4-12-34-24(31)21-15(2)27-25(32)28-23(21)18-14-30(17-8-6-5-7-9-17)29-22(18)16-10-11-20(33-3)19(26)13-16/h4-11,13-14,21,23H,1-2,12H2,3H3,(H2,27,28,32)/t21-,23+/m1/s1