prop-2-enyl 4-[4-(1-adamantylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-[4-(1-adamantylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(adamantane-1-carbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[1-adamantyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(adamantane-1-carbonyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(adamantane-1-carbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C32H38N4O4 MolecularWeight: 542.66852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C(=NC(=N5)C6=CC=CC=C6)C)C(=O)OCC=C

Isomeric SMILES

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C(=NC(=N5)C6=CC=CC=C6)C)C(=O)OCC=C

InChI

InChI=1S/C32H38N4O4/c1-4-12-40-30(38)26-21(3)33-28(25-8-6-5-7-9-25)34-27(26)29(37)35-10-11-36(20(2)19-35)31(39)32-16-22-13-23(17-32)15-24(14-22)18-32/h4-9,20,22-24H,1,10-19H2,2-3H3