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

Systemtic Name: methyl 1-[2-(4-phenylphthalazin-1-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-phenylphthalazin-1-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-29-23(28)17-11-13-26(14-12-17)20(27)15-30-22-19-10-6-5-9-18(19)21(24-25-22)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3