N-[[3-[3-[(pyrrolidin-3-ylamino)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-[3-[(pyrrolidin-3-ylamino)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[3-[(pyrrolidin-3-ylamino)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-[(3-pyrrolidinylamino)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[3-[(pyrrolidin-3-ylamino)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-[(pyrrolidin-3-ylamino)methyl]phenyl]benzyl]-piperonylamide Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NCC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CNCC1NCC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O3/c30-26(22-7-8-24-25(13-22)32-17-31-24)29-15-19-4-2-6-21(12-19)20-5-1-3-18(11-20)14-28-23-9-10-27-16-23/h1-8,11-13,23,27-28H,9-10,14-17H2,(H,29,30)