N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-cyclohexyl-ethanediamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-cyclohexyl-ethanediamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-cyclohexyl-oxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-N'-cyclohexyloxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-cyclohexyloxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-N'-cyclohexyl-oxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H34N4O4/c32-26(27(33)29-21-7-3-1-4-8-21)28-18-23(20-11-12-24-25(17-20)35-19-34-24)31-15-13-30(14-16-31)22-9-5-2-6-10-22/h2,5-6,9-12,17,21,23H,1,3-4,7-8,13-16,18-19H2,(H,28,32)(H,29,33)