N'-(4-ethoxyphenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(4-ethoxyphenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-N'-(4-ethoxyphenyl)oxamide CAS Name: N'-(4-ethoxyphenyl)-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N'-(4-ethoxyphenyl)oxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-N'-p-phenetyl-oxamide Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N5O3/c1-2-36-25-12-10-24(11-13-25)31-28(35)27(34)30-20-26(23-9-6-14-29-19-23)33-17-15-32(16-18-33)21-22-7-4-3-5-8-22/h3-14,19,26H,2,15-18,20-21H2,1H3,(H,30,34)(H,31,35)