5-bromanyl-2-phenethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine

Systemtic Name: 5-bromanyl-2-phenethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine Openeye Name: 5-bromo-2-phenethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine CAS Name: 5-bromo-2-phenethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine IUPAC Name: 5-bromo-2-phenethyl-3,4-dihydro-1H-isoquinoline-7,8-diamine Traditional Name: (7-amino-5-bromo-2-phenethyl-3,4-dihydro-1H-isoquinolin-8-yl)amine Formula: C17H20BrN3 MolecularWeight: 346.2648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(C(=CC(=C21)Br)N)N)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C(C(=CC(=C21)Br)N)N)CCC3=CC=CC=C3

InChI

InChI=1S/C17H20BrN3/c18-15-10-16(19)17(20)14-11-21(9-7-13(14)15)8-6-12-4-2-1-3-5-12/h1-5,10H,6-9,11,19-20H2