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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C28H29N5O6/c1-5-39-28(36)23-24(20-9-7-6-8-10-20)29-19(4)30-25(23)27(35)31-13-14-32(18(3)16-31)26(34)21-12-11-17(2)22(15-21)33(37)38/h6-12,15,18H,5,13-14,16H2,1-4H3