N'-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-yl-ethyl]-N-[(4-methylphenyl)methyl]ethanediamide

Systemtic Name: N'-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-yl-ethyl]-N-[(4-methylphenyl)methyl]ethanediamide Openeye Name: N'-[(2S)-2-(4-ethylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-N-(p-tolylmethyl)oxamide CAS Name: N'-[(2S)-2-(4-ethyl-1-piperazinyl)-2-(3-pyridinyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide IUPAC Name: N'-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide Traditional Name: N'-[(2S)-2-(4-ethylpiperazino)-2-(3-pyridyl)ethyl]-N-(4-methylbenzyl)oxamide Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(CNC(=O)C(=O)NCC2=CC=C(C=C2)C)C3=CN=CC=C3

Isomeric SMILES

CCN1CCN(CC1)[C@H](CNC(=O)C(=O)NCC2=CC=C(C=C2)C)C3=CN=CC=C3

InChI

InChI=1S/C23H31N5O2/c1-3-27-11-13-28(14-12-27)21(20-5-4-10-24-16-20)17-26-23(30)22(29)25-15-19-8-6-18(2)7-9-19/h4-10,16,21H,3,11-15,17H2,1-2H3,(H,25,29)(H,26,30)/t21-/m1/s1