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

Systemtic Name: ethyl 3-ethyl-6-(3-methoxyphenyl)-2-oxidanylidene-4-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzoylpiperazin-1-yl)methyl]-3-ethyl-6-(3-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-benzoyl-1-piperazinyl)methyl]-3-ethyl-6-(3-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzoylpiperazin-1-yl)methyl]-3-ethyl-6-(3-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzoylpiperazino)methyl]-3-ethyl-2-keto-6-(3-methoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O5/c1-4-32-23(19-30-14-16-31(17-15-30)26(33)20-10-7-6-8-11-20)24(27(34)37-5-2)25(29-28(32)35)21-12-9-13-22(18-21)36-3/h6-13,18,25H,4-5,14-17,19H2,1-3H3,(H,29,35)