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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-methylbenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methylbenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-3-methyl-benzamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C23H28ClN3O2/c1-16(2)13-22(28)27-11-9-26(10-12-27)21-8-7-19(24)15-20(21)25-23(29)18-6-4-5-17(3)14-18/h4-8,14-16H,9-13H2,1-3H3,(H,25,29)