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

Systemtic Name: 2-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-2-methyl-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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