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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=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)21-9-8-19(15-20(21)24)25-23(29)18-6-4-17(3)5-7-18/h4-9,15-16H,10-14H2,1-3H3,(H,25,29)