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

Systemtic Name: N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-[4-(1-pyrrolidinylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(pyrrolidinomethyl)phenyl]benzyl]-piperonylamide Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O3/c29-26(21-11-12-24-25(15-21)31-18-30-24)27-16-22-5-1-2-6-23(22)20-9-7-19(8-10-20)17-28-13-3-4-14-28/h1-2,5-12,15H,3-4,13-14,16-18H2,(H,27,29)