4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[3-(2-pyridylmethoxy)phenyl]methyl]benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-[[3-(2-pyridinylmethoxy)phenyl]methyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-[3-(2-pyridylmethoxy)benzyl]benzamide Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O5/c1-19(32)29-11-13-30(14-12-29)24-9-8-21(16-25(24)31(34)35)26(33)28-17-20-5-4-7-23(15-20)36-18-22-6-2-3-10-27-22/h2-10,15-16H,11-14,17-18H2,1H3,(H,28,33)