methyl 3-[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]carbonylpyridine-4-carboxylate

Systemtic Name: methyl 3-[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]carbonylpyridine-4-carboxylate Openeye Name: methyl 3-[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbonyl]pyridine-4-carboxylate CAS Name: 3-[oxo-[2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinyl]methyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbonyl]pyridine-4-carboxylate Traditional Name: 3-[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbonyl]isonicotinic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4/c1-28-19(26)16-8-11-22-14-17(16)18(25)23-12-5-13-24(23)20(27)21(9-10-21)15-6-3-2-4-7-15/h2-4,6-8,11,14H,5,9-10,12-13H2,1H3