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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-cycloheptyl-ethanediamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-cycloheptyl-oxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-N'-cycloheptyloxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-cycloheptyloxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-N'-cycloheptyl-oxamide Formula: C28H36N4O4 MolecularWeight: 492.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H36N4O4/c33-27(28(34)30-22-8-4-1-2-5-9-22)29-19-24(21-12-13-25-26(18-21)36-20-35-25)32-16-14-31(15-17-32)23-10-6-3-7-11-23/h3,6-7,10-13,18,22,24H,1-2,4-5,8-9,14-17,19-20H2,(H,29,33)(H,30,34)