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

Systemtic Name: ethyl (4S,5S,6S)-4-methyl-6-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S,6S)-4-methyl-6-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S,6S)-4-methyl-6-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6S)-4-methyl-6-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S,6S)-2-keto-4-methyl-6-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1C2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](NC(=O)N[C@@H]1C2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N4O4/c1-4-29-21(27)18-14(3)23-22(28)24-20(18)16-12-26(15-8-6-5-7-9-15)25-19(16)17-11-10-13(2)30-17/h5-12,14,18,20H,4H2,1-3H3,(H2,23,24,28)/t14-,18-,20+/m0/s1