ethyl 4-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(cyclopentanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclopentanecarbonyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclopentanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4O4/c1-4-11-22-23(28(35)36-5-2)24(30-25(29-22)20-12-7-6-8-13-20)27(34)31-16-17-32(19(3)18-31)26(33)21-14-9-10-15-21/h6-8,12-13,19,21H,4-5,9-11,14-18H2,1-3H3