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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H27N5O6 MolecularWeight: 517.53318

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

InChI

InChI=1S/C27H27N5O6/c1-4-38-27(35)22-23(19-9-6-5-7-10-19)28-18(3)29-24(22)26(34)30-13-14-31(17(2)16-30)25(33)20-11-8-12-21(15-20)32(36)37/h5-12,15,17H,4,13-14,16H2,1-3H3