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

Systemtic Name: ethyl 3-ethyl-4-[[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzoyl-3-methyl-piperazin-1-yl)methyl]-3-ethyl-6-(4-isopropylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-benzoyl-3-methyl-1-piperazinyl)methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzoyl-3-methyl-piperazino)methyl]-3-ethyl-2-keto-6-p-cumenyl-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(C(C3)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CC=C4

InChI

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