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

Systemtic Name: 1-[2-tert-butyl-4-[(4-chlorophenyl)-pyridin-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-pyridyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[2-tert-butyl-4-[(4-chlorophenyl)-(3-pyridinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(4-chlorophenyl)-(3-pyridyl)methyl]piperazino]ethanone Formula: C29H39ClN4O2 MolecularWeight: 511.09856

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H39ClN4O2/c1-21(35)32-14-11-22(12-15-32)18-27(36)34-17-16-33(20-26(34)29(2,3)4)28(24-6-5-13-31-19-24)23-7-9-25(30)10-8-23/h5-10,13,19,22,26,28H,11-12,14-18,20H2,1-4H3