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

Systemtic Name: ethyl 6-(4-methylphenyl)-4-[[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-benzoyl-3-methyl-piperazin-1-yl)methyl]-2-oxo-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-benzoyl-3-methyl-1-piperazinyl)methyl]-6-(4-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-6-(4-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-benzoyl-3-methyl-piperazino)methyl]-2-keto-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H36N4O4/c1-5-16-34-25(20-32-17-18-33(22(4)19-32)28(35)24-10-8-7-9-11-24)26(29(36)38-6-2)27(31-30(34)37)23-14-12-21(3)13-15-23/h5,7-15,22,27H,1,6,16-20H2,2-4H3,(H,31,37)