ethyl 3-(4-chlorophenyl)-6-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)-6-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-6-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-chlorophenyl)-6-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-6-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-6-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H24ClN5O3 MolecularWeight: 489.95346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CN(N=C2C3=CC=CC=C3)CCC#N)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CN(N=C2C3=CC=CC=C3)CCC#N)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H24ClN5O3/c1-3-35-25(33)22-17(2)32(20-12-10-19(27)11-13-20)26(34)29-24(22)21-16-31(15-7-14-28)30-23(21)18-8-5-4-6-9-18/h4-6,8-13,16,24H,3,7,15H2,1-2H3,(H,29,34)