N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-fluorophenyl)methyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-fluorophenyl)methyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[1-ethylpropyl-[(4-fluorophenyl)methyl]amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-fluorophenyl)methyl-pentan-3-ylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-fluorophenyl)methyl-pentan-3-ylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[1-ethylpropyl-(4-fluorobenzyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C25H28FN3O4 MolecularWeight: 453.505923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CC1=CC=C(C=C1)F)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(CC)N(CC1=CC=C(C=C1)F)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28FN3O4/c1-3-20(4-2)29(14-17-5-8-19(26)9-6-17)15-21-12-22(28-33-21)25(30)27-13-18-7-10-23-24(11-18)32-16-31-23/h5-12,20H,3-4,13-16H2,1-2H3,(H,27,30)