1-[2-tert-butyl-4-[(4-chlorophenyl)-thiophen-3-yl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone

Systemtic Name: 1-[2-tert-butyl-4-[(4-chlorophenyl)-thiophen-3-yl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(4-chlorophenyl)-(3-thienyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[2-tert-butyl-4-[(4-chlorophenyl)-(3-thiophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(4-chlorophenyl)-thiophen-3-ylmethyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(4-chlorophenyl)-(3-thienyl)methyl]piperazino]ethanone Formula: C28H38ClN3O2S MolecularWeight: 516.13822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2C(C)(C)C)C(C3=CC=C(C=C3)Cl)C4=CSC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2C(C)(C)C)C(C3=CC=C(C=C3)Cl)C4=CSC=C4

InChI

InChI=1S/C28H38ClN3O2S/c1-20(33)30-12-9-21(10-13-30)17-26(34)32-15-14-31(18-25(32)28(2,3)4)27(23-11-16-35-19-23)22-5-7-24(29)8-6-22/h5-8,11,16,19,21,25,27H,9-10,12-15,17-18H2,1-4H3