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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-2-4-20(26)24-13-11-23(12-14-24)18-9-7-17(8-10-18)22-21(27)16-5-3-6-19(15-16)25(28)29/h3,5-10,15H,2,4,11-14H2,1H3,(H,22,27)