N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-3-5-22(28)26-14-12-25(13-15-26)19-9-7-18(8-10-19)24-23(29)17-6-11-21(32-4-2)20(16-17)27(30)31/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,29)