2-morpholin-4-yl-5-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-morpholino-5-nitro-benzamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H25N5O5/c28-21-15-26(8-7-23-21)17-3-1-16(2-4-17)14-24-22(29)19-13-18(27(30)31)5-6-20(19)25-9-11-32-12-10-25/h1-6,13H,7-12,14-15H2,(H,23,28)(H,24,29)