N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-2-morpholino-5-nitro-benzamide Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C25H31N5O5/c1-2-3-24(31)29-12-10-27(11-13-29)20-6-4-19(5-7-20)26-25(32)22-18-21(30(33)34)8-9-23(22)28-14-16-35-17-15-28/h4-9,18H,2-3,10-17H2,1H3,(H,26,32)