ethyl 4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H23FN4O3S MolecularWeight: 454.517123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O3S/c1-2-31-23(30)28-13-11-27(12-14-28)20(29)15-32-22-19-6-4-3-5-18(19)21(25-26-22)16-7-9-17(24)10-8-16/h3-10H,2,11-15H2,1H3