2-bromanyl-1-[1-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-2-yl]ethanone

Systemtic Name: 2-bromanyl-1-[1-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-2-yl]ethanone Openeye Name: 2-bromo-1-[1-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-2-yl]ethanone CAS Name: 2-bromo-1-[1-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-2-piperazinyl]ethanone IUPAC Name: 2-bromo-1-[1-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-2-yl]ethanone Traditional Name: 2-bromo-1-[1-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-2-yl]ethanone Formula: C21H21BrCl2N2O2 MolecularWeight: 484.21364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C(=O)CBr)C3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C(=O)CBr)C3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H21BrCl2N2O2/c1-13-7-14(2)9-15(8-13)21(28)25-5-6-26(19(12-25)20(27)11-22)16-3-4-17(23)18(24)10-16/h3-4,7-10,19H,5-6,11-12H2,1-2H3