N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]cyclohexanecarboxamide Openeye Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-pyridyl)ethyl]cyclohexanecarboxamide CAS Name: N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide Traditional Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazino]-2-(3-pyridyl)ethyl]cyclohexanecarboxamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(CNC(=O)C3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H](CNC(=O)C3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C25H34N4O2/c1-31-24-12-6-5-11-22(24)28-14-16-29(17-15-28)23(21-10-7-13-26-18-21)19-27-25(30)20-8-3-2-4-9-20/h5-7,10-13,18,20,23H,2-4,8-9,14-17,19H2,1H3,(H,27,30)/t23-/m1/s1