N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylaminomethyl)butyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylaminomethyl)butyl]-piperonylamide Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC)N(C1=CC=C(C=C1)CN)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC(CNC)N(C1=CC=C(C=C1)CN)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27N3O3/c1-3-4-18(13-23-2)24(17-8-5-15(12-22)6-9-17)21(25)16-7-10-19-20(11-16)27-14-26-19/h5-11,18,23H,3-4,12-14,22H2,1-2H3