4-[4-(4-chlorophenyl)-3-oxidanylidene-5-pyridin-4-yl-pyrazolidin-1-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(4-chlorophenyl)-3-oxidanylidene-5-pyridin-4-yl-pyrazolidin-1-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(4-chlorophenyl)-3-oxo-5-(4-pyridyl)pyrazolidin-1-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-(4-chlorophenyl)-3-oxo-5-pyridin-4-yl-1-pyrazolidinyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-chlorophenyl)-3-oxo-5-pyridin-4-ylpyrazolidin-1-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(4-chlorophenyl)-3-keto-5-(4-pyridyl)pyrazolidin-1-yl]piperidine-1-carboxylic acid Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C(C(=O)N2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C(C(C(=O)N2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H21ClN4O3/c21-15-3-1-13(2-4-15)17-18(14-5-9-22-10-6-14)25(23-19(17)26)16-7-11-24(12-8-16)20(27)28/h1-6,9-10,16-18H,7-8,11-12H2,(H,23,26)(H,27,28)