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

Systemtic Name: N-[3-[(phenylmethyl)carbamoyl]-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[oxo-[(phenylmethyl)amino]methyl]-4-(1-pyrrolidinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4-pyrrolidino-phenyl]-piperonylamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4/c30-25(19-8-11-23-24(14-19)33-17-32-23)28-20-9-10-22(29-12-4-5-13-29)21(15-20)26(31)27-16-18-6-2-1-3-7-18/h1-3,6-11,14-15H,4-5,12-13,16-17H2,(H,27,31)(H,28,30)