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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-4-morpholino-3-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=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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