1-(4-fluorophenyl)carbonyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]piperidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]piperidine-3-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]piperidine-3-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]piperidine-3-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-[6-(3-ketopiperazino)-3-pyridyl]nipecotamide Formula: C22H24FN5O3 MolecularWeight: 425.456063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H24FN5O3/c23-17-5-3-15(4-6-17)22(31)28-10-1-2-16(13-28)21(30)26-18-7-8-19(25-12-18)27-11-9-24-20(29)14-27/h3-8,12,16H,1-2,9-11,13-14H2,(H,24,29)(H,26,30)