N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyl-ethanediamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyl-oxamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-N'-phenyloxamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-N'-phenyl-oxamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)[C@H](CNC(=O)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N4O4/c1-25-9-11-26(12-10-25)18(16-7-8-19-20(13-16)30-15-29-19)14-23-21(27)22(28)24-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1