N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-3-methyl-4-nitro-benzamide Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4/c1-15(2)12-22(29)27-10-8-26(9-11-27)21-7-5-18(24)14-19(21)25-23(30)17-4-6-20(28(31)32)16(3)13-17/h4-7,13-15H,8-12H2,1-3H3,(H,25,30)