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

Systemtic Name: ethyl 4-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-chloro-4-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloro-4-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H30ClN5O6 MolecularWeight: 580.0314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30ClN5O6/c1-4-9-23-24(29(38)41-5-2)25(32-26(31-23)19-10-7-6-8-11-19)28(37)33-14-15-34(18(3)17-33)27(36)21-13-12-20(35(39)40)16-22(21)30/h6-8,10-13,16,18H,4-5,9,14-15,17H2,1-3H3