N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[2-(4-pyridyl)ethylcarbamoyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[oxo-(2-pyridin-4-ylethylamino)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[2-(4-pyridyl)ethylcarbamoyl]benzyl]-piperonylamide Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=O)NCCC4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=O)NCCC4=CC=NC=C4

InChI

InChI=1S/C23H21N3O4/c27-22(25-11-8-16-6-9-24-10-7-16)18-3-1-2-17(12-18)14-26-23(28)19-4-5-20-21(13-19)30-15-29-20/h1-7,9-10,12-13H,8,11,14-15H2,(H,25,27)(H,26,28)