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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl)C

InChI

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