N-(2,2-dimethoxyethyl)-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-(2,2-dimethoxyethyl)-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-(2,2-dimethoxyethyl)-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: N-(2,2-dimethoxyethyl)-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-(2,2-dimethoxyethyl)-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-(2,2-dimethoxyethyl)-3-nitro-4-[4-(2-pyridyl)piperazino]benzamide Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC(CNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N5O5/c1-29-19(30-2)14-22-20(26)15-6-7-16(17(13-15)25(27)28)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13,19H,9-12,14H2,1-2H3,(H,22,26)