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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

InChI

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