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

Systemtic Name: 1-[4-[(4-chlorophenyl)-thiophen-3-yl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[4-[(4-chlorophenyl)-(3-thienyl)methyl]-2-isopropyl-piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[4-[(4-chlorophenyl)-(3-thiophenyl)methyl]-2-propan-2-yl-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2-propan-2-ylpiperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[4-[(4-chlorophenyl)-(3-thienyl)methyl]-2-isopropyl-piperazino]ethanone Formula: C27H36ClN3O2S MolecularWeight: 502.11164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)C)C(C3=CC=C(C=C3)Cl)C4=CSC=C4

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)C)C(C3=CC=C(C=C3)Cl)C4=CSC=C4

InChI

InChI=1S/C27H36ClN3O2S/c1-19(2)25-17-30(27(23-10-15-34-18-23)22-4-6-24(28)7-5-22)13-14-31(25)26(33)16-21-8-11-29(12-9-21)20(3)32/h4-7,10,15,18-19,21,25,27H,8-9,11-14,16-17H2,1-3H3