N-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 1,3-benzodioxol-5-yl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=NCC1)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O2/c1-2-4-13(14-7-3-1)15-10-5-6-11-12(8-10)17-9-16-11/h5-6,8H,1-4,7,9H2,(H,14,15)