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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3,5-dimethylbenzamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3,5-dimethyl-benzamide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)C)C)Cl

InChI

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