2-[(4-fluorophenyl)methylcarbamoylamino]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: 2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(4-fluorobenzyl)carbamoylamino]-N-[6-(3-ketopiperazino)-3-pyridyl]acetamide Formula: C19H21FN6O3 MolecularWeight: 400.406843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CNC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CNC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN6O3/c20-14-3-1-13(2-4-14)9-23-19(29)24-11-17(27)25-15-5-6-16(22-10-15)26-8-7-21-18(28)12-26/h1-6,10H,7-9,11-12H2,(H,21,28)(H,25,27)(H2,23,24,29)