5-octoxy-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one

Systemtic Name: 5-octoxy-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one Openeye Name: 5-octoxy-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one CAS Name: 5-octoxy-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one IUPAC Name: 5-octoxy-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one Traditional Name: 5-octoxy-3,4,5,10-tetrahydro-2H-azepin[3,4-b]indol-1-one Formula: C20H28N2O2 MolecularWeight: 328.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1CCNC(=O)C2=C1C3=CC=CC=C3N2

Isomeric SMILES

CCCCCCCCOC1CCNC(=O)C2=C1C3=CC=CC=C3N2

InChI

InChI=1S/C20H28N2O2/c1-2-3-4-5-6-9-14-24-17-12-13-21-20(23)19-18(17)15-10-7-8-11-16(15)22-19/h7-8,10-11,17,22H,2-6,9,12-14H2,1H3,(H,21,23)