methyl 1-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetyl]isonipecotic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c1-28-21(27)14-8-10-23(11-9-14)18(25)13-24-20(26)16-6-3-2-5-15(16)19(22-24)17-7-4-12-29-17/h2-7,12,14H,8-11,13H2,1H3