methyl (4R,5S)-4-(1,3-diphenylpyrazol-4-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5S)-4-(1,3-diphenylpyrazol-4-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(1,3-diphenylpyrazol-4-yl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(1,3-diphenyl-4-pyrazolyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(1,3-diphenylpyrazol-4-yl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(1,3-diphenylpyrazol-4-yl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-14-18(21(27)29-2)20(24-22(28)23-14)17-13-26(16-11-7-4-8-12-16)25-19(17)15-9-5-3-6-10-15/h3-13,18,20H,1H2,2H3,(H2,23,24,28)/t18-,20+/m1/s1