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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[4-(3-methylbutanoylamino)phenyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[4-(3-methylbutanoylamino)phenyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[4-(3-methylbutanoylamino)phenyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[4-(isovalerylamino)phenyl]-3-nitro-benzamide Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H29N5O5/c1-16(2)14-23(31)25-19-5-7-20(8-6-19)26-24(32)18-4-9-21(22(15-18)29(33)34)28-12-10-27(11-13-28)17(3)30/h4-9,15-16H,10-14H2,1-3H3,(H,25,31)(H,26,32)