N1,N1-diethyl-N4-isoquinolin-4-yl-pentane-1,4-diamine

Systemtic Name: N1,N1-diethyl-N4-isoquinolin-4-yl-pentane-1,4-diamine Openeye Name: N1,N1-diethyl-N4-(4-isoquinolyl)pentane-1,4-diamine CAS Name: N1,N1-diethyl-N4-(4-isoquinolinyl)pentane-1,4-diamine IUPAC Name: 1-N,1-N-diethyl-4-N-isoquinolin-4-ylpentane-1,4-diamine Traditional Name: diethyl-[4-(4-isoquinolylamino)pentyl]amine Formula: C18H27N3 MolecularWeight: 285.42708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=CN=CC2=CC=CC=C21

Isomeric SMILES

CCN(CC)CCCC(C)NC1=CN=CC2=CC=CC=C21

InChI

InChI=1S/C18H27N3/c1-4-21(5-2)12-8-9-15(3)20-18-14-19-13-16-10-6-7-11-17(16)18/h6-7,10-11,13-15,20H,4-5,8-9,12H2,1-3H3