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

Systemtic Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-caproylpiperazino)phenyl]-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-2-3-4-8-22(28)26-15-13-25(14-16-26)20-11-9-19(10-12-20)24-23(29)18-6-5-7-21(17-18)27(30)31/h5-7,9-12,17H,2-4,8,13-16H2,1H3,(H,24,29)