1-[4-tert-butyl-2-ethanoyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone

Systemtic Name: 1-[4-tert-butyl-2-ethanoyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone Openeye Name: 1-[2-acetyl-4-tert-butyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone CAS Name: 1-[2-acetyl-4-tert-butyl-2-(1-pyrrolidinylmethyl)-1-piperazinyl]-2-(3,4-dichlorophenyl)ethanone IUPAC Name: 1-[2-acetyl-4-tert-butyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone Traditional Name: 1-[2-acetyl-4-tert-butyl-2-(pyrrolidinomethyl)piperazino]-2-(3,4-dichlorophenyl)ethanone Formula: C23H33Cl2N3O2 MolecularWeight: 454.43302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CN(CCN1C(=O)CC2=CC(=C(C=C2)Cl)Cl)C(C)(C)C)CN3CCCC3

Isomeric SMILES

CC(=O)C1(CN(CCN1C(=O)CC2=CC(=C(C=C2)Cl)Cl)C(C)(C)C)CN3CCCC3

InChI

InChI=1S/C23H33Cl2N3O2/c1-17(29)23(15-26-9-5-6-10-26)16-27(22(2,3)4)11-12-28(23)21(30)14-18-7-8-19(24)20(25)13-18/h7-8,13H,5-6,9-12,14-16H2,1-4H3