ethyl (5R,6S)-4-methylidene-6-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5R,6S)-4-methylidene-6-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-4-methylene-2-oxo-6-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-4-methylidene-6-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-4-31-23(29)20-16(3)25-24(30)26-22(20)19-14-28(18-8-6-5-7-9-18)27-21(19)17-12-10-15(2)11-13-17/h5-14,20,22H,3-4H2,1-2H3,(H2,25,26,30)/t20-,22+/m0/s1