3-(1,3-benzodioxol-5-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C15H17N3O2 MolecularWeight: 271.31438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NCCCCC2=C(N1)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=NCCCCC2=C(N1)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H17N3O2/c1-18-15-11(4-2-3-7-16-15)14(17-18)10-5-6-12-13(8-10)20-9-19-12/h5-6,8,17H,2-4,7,9H2,1H3