ethyl 4-[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[4-(4-fluorophenyl)-1-piperazinyl]-1-phthalazinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-(4-fluorophenyl)piperazino]phthalazine-1-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H29FN6O3 MolecularWeight: 492.545263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H29FN6O3/c1-2-36-26(35)33-17-15-32(16-18-33)25(34)23-21-5-3-4-6-22(21)24(29-28-23)31-13-11-30(12-14-31)20-9-7-19(27)8-10-20/h3-10H,2,11-18H2,1H3