N-(phenylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(phenylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-isoxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(phenylmethyl)-N-[[3-phenyl-5-(1-pyrrolidinyl)-4-isoxazolyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-benzyl-N-[(3-phenyl-5-pyrrolidino-isoxazol-4-yl)methyl]-piperonylamide Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NO2)C3=CC=CC=C3)CN(CC4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C2=C(C(=NO2)C3=CC=CC=C3)CN(CC4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O4/c33-28(23-13-14-25-26(17-23)35-20-34-25)32(18-21-9-3-1-4-10-21)19-24-27(22-11-5-2-6-12-22)30-36-29(24)31-15-7-8-16-31/h1-6,9-14,17H,7-8,15-16,18-20H2