N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-2-methyl-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

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-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-3-5-21(27)25-14-12-24(13-15-25)18-10-8-17(9-11-18)23-22(28)19-6-4-7-20(16(19)2)26(29)30/h4,6-11H,3,5,12-15H2,1-2H3,(H,23,28)