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

Systemtic Name: ethyl 4-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H33N5O6 MolecularWeight: 559.61292

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)C3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C30H33N5O6/c1-5-10-23-25(30(38)41-6-2)26(32-27(31-23)21-11-8-7-9-12-21)29(37)33-15-16-34(20(4)18-33)28(36)22-14-13-19(3)24(17-22)35(39)40/h7-9,11-14,17,20H,5-6,10,15-16,18H2,1-4H3