1-[2-tert-butyl-4-[(3,4-dichlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone

Systemtic Name: 1-[2-tert-butyl-4-[(3,4-dichlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(3,4-dichlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[2-tert-butyl-4-[(3,4-dichlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(3,4-dichlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(3,4-dichlorophenyl)-(2-pyridyl)methyl]piperazino]ethanone Formula: C29H38Cl2N4O2 MolecularWeight: 545.54362

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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)Cl)C4=CC=CC=N4

Isomeric SMILES

CC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2C(C)(C)C)C(C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4

InChI

InChI=1S/C29H38Cl2N4O2/c1-20(36)33-13-10-21(11-14-33)17-27(37)35-16-15-34(19-26(35)29(2,3)4)28(25-7-5-6-12-32-25)22-8-9-23(30)24(31)18-22/h5-9,12,18,21,26,28H,10-11,13-17,19H2,1-4H3