ethyl 3-ethyl-4-[[4-(4-methylphenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-[[4-(4-methylphenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(4-isopropylphenyl)-4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-p-cumenyl-4-[(4-p-toluoylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H40N4O4 MolecularWeight: 532.6737

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H40N4O4/c1-6-35-26(20-33-16-18-34(19-17-33)29(36)25-10-8-22(5)9-11-25)27(30(37)39-7-2)28(32-31(35)38)24-14-12-23(13-15-24)21(3)4/h8-15,21,28H,6-7,16-20H2,1-5H3,(H,32,38)