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

Systemtic Name: ethyl 3-methyl-4-[[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-isopropylphenyl)-3-methyl-4-[[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[[3-methyl-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-methyl-4-[[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-[(3-methyl-4-p-toluoyl-piperazino)methyl]-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:

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

Isomeric SMILES

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

InChI

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