4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C20H26N6O5 MolecularWeight: 430.45764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H26N6O5/c1-30-17-13-15(16(26(28)29)14-18(17)31-2)19(27)21-7-4-8-24-9-11-25(12-10-24)20-22-5-3-6-23-20/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,21,27)