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

Systemtic Name: N'-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-N-phenethyl-ethanediamide Openeye Name: N'-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3-pyridyl)ethyl]-N-phenethyl-oxamide CAS Name: N'-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-N-phenethyloxamide IUPAC Name: N'-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-phenethyloxamide Traditional Name: N'-[(2S)-2-[4-(4-methoxyphenyl)piperazino]-2-(3-pyridyl)ethyl]-N-phenethyl-oxamide Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H](CNC(=O)C(=O)NCCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C28H33N5O3/c1-36-25-11-9-24(10-12-25)32-16-18-33(19-17-32)26(23-8-5-14-29-20-23)21-31-28(35)27(34)30-15-13-22-6-3-2-4-7-22/h2-12,14,20,26H,13,15-19,21H2,1H3,(H,30,34)(H,31,35)/t26-/m1/s1