6-azanyl-N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]hexanamide

Systemtic Name: 6-azanyl-N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]hexanamide Openeye Name: 6-amino-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-benzyl-2-oxo-ethyl]hexanamide CAS Name: 6-amino-N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]hexanamide IUPAC Name: 6-amino-N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]hexanamide Traditional Name: 6-amino-N-[1-benzyl-2-keto-2-(4-piperonylpiperazino)ethyl]hexanamide Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(CC4=CC=CC=C4)NC(=O)CCCCCN

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(CC4=CC=CC=C4)NC(=O)CCCCCN

InChI

InChI=1S/C27H36N4O4/c28-12-6-2-5-9-26(32)29-23(17-21-7-3-1-4-8-21)27(33)31-15-13-30(14-16-31)19-22-10-11-24-25(18-22)35-20-34-24/h1,3-4,7-8,10-11,18,23H,2,5-6,9,12-17,19-20,28H2,(H,29,32)