(4,5-dimethoxy-2-nitro-phenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-piperidinopyrimidin-4-yl)piperazino]methanone Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H28N6O5/c1-32-18-12-16(17(28(30)31)13-19(18)33-2)22(29)27-10-8-26(9-11-27)21-14-20(23-15-24-21)25-6-4-3-5-7-25/h12-15H,3-11H2,1-2H3