N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[4-(4-pivaloylpiperazino)phenyl]benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)[N+](=O)[O-]

InChI

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