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

Systemtic Name: propan-2-yl 4-methyl-6-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-methyl-6-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-6-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C29H31N5O6 MolecularWeight: 545.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C29H31N5O6/c1-17(2)40-29(37)24-20(5)30-26(21-9-7-6-8-10-21)31-25(24)28(36)32-13-14-33(19(4)16-32)27(35)22-12-11-18(3)23(15-22)34(38)39/h6-12,15,17,19H,13-14,16H2,1-5H3