N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethyl-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3,4-dimethylbenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethylbenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-3,4-dimethyl-benzamide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H28ClN3O2/c1-18-7-10-21(11-8-18)27(33)31-15-13-30(14-16-31)25-23(28)5-4-6-24(25)29-26(32)22-12-9-19(2)20(3)17-22/h4-12,17H,13-16H2,1-3H3,(H,29,32)