ethyl 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-phthalazinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-[4-(2-fluorophenyl)piperazino]phthalazine-1-carbonyl]isonipecotic acid ethyl ester Formula: C27H30FN5O3 MolecularWeight: 491.557203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H30FN5O3/c1-2-36-27(35)19-11-13-33(14-12-19)26(34)24-20-7-3-4-8-21(20)25(30-29-24)32-17-15-31(16-18-32)23-10-6-5-9-22(23)28/h3-10,19H,2,11-18H2,1H3