N',N'-diethyl-N-[4-(pyridin-3-ylmethyl)phthalazin-1-yl]propane-1,3-diamine

Systemtic Name: N',N'-diethyl-N-[4-(pyridin-3-ylmethyl)phthalazin-1-yl]propane-1,3-diamine Openeye Name: N',N'-diethyl-N-[4-(3-pyridylmethyl)phthalazin-1-yl]propane-1,3-diamine CAS Name: N',N'-diethyl-N-[4-(3-pyridinylmethyl)-1-phthalazinyl]propane-1,3-diamine IUPAC Name: N',N'-diethyl-N-[4-(pyridin-3-ylmethyl)phthalazin-1-yl]propane-1,3-diamine Traditional Name: diethyl-[3-[[4-(3-pyridylmethyl)phthalazin-1-yl]amino]propyl]amine Formula: C21H27N5 MolecularWeight: 349.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NN=C(C2=CC=CC=C21)CC3=CN=CC=C3

Isomeric SMILES

CCN(CC)CCCNC1=NN=C(C2=CC=CC=C21)CC3=CN=CC=C3

InChI

InChI=1S/C21H27N5/c1-3-26(4-2)14-8-13-23-21-19-11-6-5-10-18(19)20(24-25-21)15-17-9-7-12-22-16-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,23,25)