N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexyl-amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(3-chlorobenzyl)-cyclohexyl-amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H28ClN3O4 MolecularWeight: 481.97122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC(=CC=C2)Cl)CC3=CC(=NO3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N(CC2=CC(=CC=C2)Cl)CC3=CC(=NO3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28ClN3O4/c27-20-6-4-5-19(11-20)15-30(21-7-2-1-3-8-21)16-22-13-23(29-34-22)26(31)28-14-18-9-10-24-25(12-18)33-17-32-24/h4-6,9-13,21H,1-3,7-8,14-17H2,(H,28,31)