4-(4-ethanoylpiperazin-1-yl)-N-[4-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[4-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[4-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[4-(2-methylpropanoylamino)phenyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[4-(isobutyrylamino)phenyl]-3-nitro-benzamide Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5/c1-15(2)22(30)24-18-5-7-19(8-6-18)25-23(31)17-4-9-20(21(14-17)28(32)33)27-12-10-26(11-13-27)16(3)29/h4-9,14-15H,10-13H2,1-3H3,(H,24,30)(H,25,31)