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

Systemtic Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-caproylpiperazino)phenyl]-4-methyl-3-nitro-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c1-3-4-5-6-23(29)27-15-13-26(14-16-27)21-11-9-20(10-12-21)25-24(30)19-8-7-18(2)22(17-19)28(31)32/h7-12,17H,3-6,13-16H2,1-2H3,(H,25,30)