3-phenethyl-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine

Systemtic Name: 3-phenethyl-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine Openeye Name: 3-phenethyl-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine CAS Name: 3-phenethyl-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine IUPAC Name: 3-phenethyl-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine Traditional Name: 3-phenethyl-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine Formula: C21H26N2 MolecularWeight: 306.44454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CN3C1CN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2CN3C1CN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N2/c1-2-6-18(7-3-1)12-13-22-14-15-23-16-20-9-5-4-8-19(20)10-11-21(23)17-22/h1-9,21H,10-17H2