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

Systemtic Name: ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(1,3-diphenyl-4-pyrazolyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(1,3-diphenylpyrazol-4-yl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3/c1-3-30-22(28)19-15(2)24-23(29)25-21(19)18-14-27(17-12-8-5-9-13-17)26-20(18)16-10-6-4-7-11-16/h4-14,19,21H,2-3H2,1H3,(H2,24,25,29)