ethyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C25H26FN3O3S MolecularWeight: 467.555643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O3S/c1-3-32-25(31)18-12-14-29(15-13-18)24(30)16(2)33-23-21-7-5-4-6-20(21)22(27-28-23)17-8-10-19(26)11-9-17/h4-11,16,18H,3,12-15H2,1-2H3