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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[bis(phenylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(dibenzylamino)methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[bis(phenylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(dibenzylamino)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(dibenzylamino)methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c31-27(28-15-22-11-12-25-26(13-22)33-19-32-25)24-14-23(34-29-24)18-30(16-20-7-3-1-4-8-20)17-21-9-5-2-6-10-21/h1-14H,15-19H2,(H,28,31)