methyl 6-(1,3-diphenylpyrazol-4-yl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(1,3-diphenylpyrazol-4-yl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-benzyl-6-(1,3-diphenylpyrazol-4-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(1,3-diphenyl-4-pyrazolyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-6-(1,3-diphenylpyrazol-4-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(1,3-diphenylpyrazol-4-yl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H26N4O3/c1-20-25(28(34)36-2)27(30-29(35)32(20)18-21-12-6-3-7-13-21)24-19-33(23-16-10-5-11-17-23)31-26(24)22-14-8-4-9-15-22/h3-17,19,27H,18H2,1-2H3,(H,30,35)