ethanedioic acid; 4-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine

Systemtic Name: ethanedioic acid; 4-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine Openeye Name: N-(3-morpholinopropyl)-4-(p-tolyl)phthalazin-1-amine; oxalic acid CAS Name: 4-(4-methylphenyl)-N-[3-(4-morpholinyl)propyl]-1-phthalazinamine; oxalic acid IUPAC Name: 4-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine; oxalic acid Traditional Name: 3-morpholinopropyl-[4-(p-tolyl)phthalazin-1-yl]amine; oxalic acid Formula: C26H30N4O9 MolecularWeight: 542.5378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCN4CCOCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCN4CCOCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N4O.2C2H2O4/c1-17-7-9-18(10-8-17)21-19-5-2-3-6-20(19)22(25-24-21)23-11-4-12-26-13-15-27-16-14-26;2*3-1(4)2(5)6/h2-3,5-10H,4,11-16H2,1H3,(H,23,25);2*(H,3,4)(H,5,6)