methyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O3S/c1-30-23(29)16-10-12-27(13-11-16)20(28)14-31-22-19-5-3-2-4-18(19)21(25-26-22)15-6-8-17(24)9-7-15/h2-9,16H,10-14H2,1H3