methyl 6-[2-(phenethylcarbamoyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(phenethylcarbamoyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(phenethylcarbamoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[2-[oxo-(phenethylamino)methyl]-1-pyrazolidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(phenethylcarbamoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(phenethylcarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-28-19(26)16-8-9-17(22-14-16)18(25)23-12-5-13-24(23)20(27)21-11-10-15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3,(H,21,27)