N-[[3-[3-[(3-oxidanylidenepiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-[3-[(3-oxidanylidenepiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[3-[(3-oxopiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-[(3-oxo-1-piperazinyl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[3-[(3-oxopiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-[(3-ketopiperazino)methyl]phenyl]benzyl]-piperonylamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC(=O)N1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

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