ethyl 4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(1-phenyl-3-p-phenetyl-pyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O4/c1-4-32-19-13-11-17(12-14-19)22-20(15-29(28-22)18-9-7-6-8-10-18)23-21(24(30)33-5-2)16(3)26-25(31)27-23/h6-15,23H,4-5H2,1-3H3,(H2,26,27,31)