N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazino)-3-nitro-N-[3-(pivaloylamino)phenyl]benzamide Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4/c1-23(2,3)22(30)25-18-7-5-6-17(15-18)24-21(29)16-8-9-19(20(14-16)28(31)32)27-12-10-26(4)11-13-27/h5-9,14-15H,10-13H2,1-4H3,(H,24,29)(H,25,30)