2-[(2-fluorophenyl)amino]-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)amino]-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(2-fluoroanilino)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(2-fluoroanilino)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-fluoroanilino)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(2-fluoroanilino)-N-[4-(3-ketopiperazino)benzyl]nicotinamide Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)NC4=CC=CC=C4F

InChI

InChI=1S/C23H22FN5O2/c24-19-5-1-2-6-20(19)28-22-18(4-3-11-26-22)23(31)27-14-16-7-9-17(10-8-16)29-13-12-25-21(30)15-29/h1-11H,12-15H2,(H,25,30)(H,26,28)(H,27,31)