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

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methyl-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methyl-benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-methylbenzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-4-methyl-benzamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-15(2)22(28)26-13-11-25(12-14-26)20-18(23)5-4-6-19(20)24-21(27)17-9-7-16(3)8-10-17/h4-10,15H,11-14H2,1-3H3,(H,24,27)