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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-4-ethoxy-3-nitro-benzamide Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O5/c1-3-5-22(29)27-12-10-26(11-13-27)19-8-7-17(15-18(19)24)25-23(30)16-6-9-21(33-4-2)20(14-16)28(31)32/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,25,30)