ethanedioic acid; 4-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)phthalazin-1-amine

Systemtic Name: ethanedioic acid; 4-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)phthalazin-1-amine Openeye Name: N-(2-morpholinoethyl)-4-(p-tolyl)phthalazin-1-amine; oxalic acid CAS Name: 4-(4-methylphenyl)-N-[2-(4-morpholinyl)ethyl]-1-phthalazinamine; oxalic acid IUPAC Name: 4-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)phthalazin-1-amine; oxalic acid Traditional Name: 2-morpholinoethyl-[4-(p-tolyl)phthalazin-1-yl]amine; oxalic acid Formula: C25H28N4O9 MolecularWeight: 528.51122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCN4CCOCC4.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)NCCN4CCOCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N4O.2C2H2O4/c1-16-6-8-17(9-7-16)20-18-4-2-3-5-19(18)21(24-23-20)22-10-11-25-12-14-26-15-13-25;2*3-1(4)2(5)6/h2-9H,10-15H2,1H3,(H,22,24);2*(H,3,4)(H,5,6)