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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-[4-(phenoxymethyl)benzyl]benzamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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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)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-20(32)29-13-15-30(16-14-29)25-12-11-23(17-26(25)31(34)35)27(33)28-18-21-7-9-22(10-8-21)19-36-24-5-3-2-4-6-24/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)