2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(6-fluoroindoxazen-3-yl)piperazino]ethanone Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C22H23FN4O2/c23-18-5-6-19-20(13-18)29-24-22(19)27-11-9-26(10-12-27)21(28)15-25-8-7-16-3-1-2-4-17(16)14-25/h1-6,13H,7-12,14-15H2