[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-3-yl] pyridine-4-carboxylate dihydrochloride

Systemtic Name: [5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-3-yl] pyridine-4-carboxylate dihydrochloride Openeye Name: [5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] pyridine-4-carboxylate dihydrochloride CAS Name: 4-pyridinecarboxylic acid [5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-3-pyrrolidinyl] ester dihydrochloride IUPAC Name: [5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] pyridine-4-carboxylate dihydrochloride Traditional Name: isonicotinic acid [5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] ester dihydrochloride Formula: C16H20Cl2N4O3 MolecularWeight: 387.261

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)OC(=O)C3=CC=NC=C3)C#N.Cl.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)OC(=O)C3=CC=NC=C3)C#N.Cl.Cl

InChI

InChI=1S/C16H18N4O3.2ClH/c17-9-12-2-1-7-20(12)15(21)14-8-13(10-19-14)23-16(22)11-3-5-18-6-4-11;;/h3-6,12-14,19H,1-2,7-8,10H2;2*1H