1,3-dimethyl-6-[4-[3-[2-nitro-4-(phenylcarbonyl)phenyl]propyl]piperazin-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-[2-nitro-4-(phenylcarbonyl)phenyl]propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(4-benzoyl-2-nitro-phenyl)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-(4-benzoyl-2-nitrophenyl)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-(4-benzoyl-2-nitrophenyl)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-(4-benzoyl-2-nitro-phenyl)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O5/c1-27-23(18-24(32)28(2)26(27)34)30-15-13-29(14-16-30)12-6-9-19-10-11-21(17-22(19)31(35)36)25(33)20-7-4-3-5-8-20/h3-5,7-8,10-11,17-18H,6,9,12-16H2,1-2H3