N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide CAS Name: N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,5-dimethylbenzamide Traditional Name: N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-3,5-dimethyl-benzamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O2/c1-15(2)23(29)27-9-7-26(8-10-27)21-6-5-19(14-20(21)24)25-22(28)18-12-16(3)11-17(4)13-18/h5-6,11-15H,7-10H2,1-4H3,(H,25,28)