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

Systemtic Name: ethanedioic acid; 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine Openeye Name: 4-(4-fluorophenyl)-N-(3-morpholinopropyl)phthalazin-1-amine; oxalic acid CAS Name: 4-(4-fluorophenyl)-N-[3-(4-morpholinyl)propyl]-1-phthalazinamine; oxalic acid IUPAC Name: 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine; oxalic acid Traditional Name: [4-(4-fluorophenyl)phthalazin-1-yl]-(3-morpholinopropyl)amine; oxalic acid Formula: C25H27FN4O9 MolecularWeight: 546.501683

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCCNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23FN4O.2C2H2O4/c22-17-8-6-16(7-9-17)20-18-4-1-2-5-19(18)21(25-24-20)23-10-3-11-26-12-14-27-15-13-26;2*3-1(4)2(5)6/h1-2,4-9H,3,10-15H2,(H,23,25);2*(H,3,4)(H,5,6)