4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)phthalazin-1-amine; ethanedioic acid

Systemtic Name: 4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)phthalazin-1-amine; ethanedioic acid Openeye Name: 4-(3,4-dimethylphenyl)-N-(2-morpholinoethyl)phthalazin-1-amine; oxalic acid CAS Name: 4-(3,4-dimethylphenyl)-N-[2-(4-morpholinyl)ethyl]-1-phthalazinamine; oxalic acid IUPAC Name: 4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)phthalazin-1-amine; oxalic acid Traditional Name: [4-(3,4-dimethylphenyl)phthalazin-1-yl]-(2-morpholinoethyl)amine; oxalic acid Formula: C26H30N4O9 MolecularWeight: 542.5378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O.2C2H2O4/c1-16-7-8-18(15-17(16)2)21-19-5-3-4-6-20(19)22(25-24-21)23-9-10-26-11-13-27-14-12-26;2*3-1(4)2(5)6/h3-8,15H,9-14H2,1-2H3,(H,23,25);2*(H,3,4)(H,5,6)