N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-23(2,3)16-21(28)26-13-11-25(12-14-26)19-9-7-18(8-10-19)24-22(29)17-5-4-6-20(15-17)27(30)31/h4-10,15H,11-14,16H2,1-3H3,(H,24,29)