6-fluoranyl-7-piperazin-1-yl-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 6-fluoranyl-7-piperazin-1-yl-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 6-fluoro-7-(1-piperazinyl)-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 6-fluoro-7-piperazino-3,4-dihydroisocarbostyril Formula: C13H16FN3O MolecularWeight: 249.284043

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=CC(=C(C=C21)F)N3CCNCC3

Isomeric SMILES

C1CNC(=O)C2=CC(=C(C=C21)F)N3CCNCC3

InChI

InChI=1S/C13H16FN3O/c14-11-7-9-1-2-16-13(18)10(9)8-12(11)17-5-3-15-4-6-17/h7-8,15H,1-6H2,(H,16,18)