ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)phthalazine

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)phthalazine Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)phthalazine; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)phthalazine; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)phthalazine; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-4-(4-fluorophenyl)phthalazine; oxalic acid Formula: C24H25FN4O8 MolecularWeight: 516.475703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=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

CCN1CCN(CC1)C2=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/C20H21FN4.2C2H2O4/c1-2-24-11-13-25(14-12-24)20-18-6-4-3-5-17(18)19(22-23-20)15-7-9-16(21)10-8-15;2*3-1(4)2(5)6/h3-10H,2,11-14H2,1H3;2*(H,3,4)(H,5,6)