N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-2-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-16(2)15-21(27)25-13-11-24(12-14-25)18-9-7-17(8-10-18)23-22(28)19-5-3-4-6-20(19)26(29)30/h3-10,16H,11-15H2,1-2H3,(H,23,28)