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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexylcarbonyl-(phenylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(cyclohexanecarbonyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[cyclohexyl(oxo)methyl]-(phenylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5/c31-26(28-15-20-11-12-24-25(13-20)34-18-33-24)23-14-22(35-29-23)17-30(16-19-7-3-1-4-8-19)27(32)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,21H,2,5-6,9-10,15-18H2,(H,28,31)