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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[4-(3-pyridylmethoxy)phenyl]methyl]benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-[[4-(3-pyridinylmethoxy)phenyl]methyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-[4-(3-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=C(C=C3)OCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OCC4=CN=CC=C4)[N+](=O)[O-]

InChI

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