1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitro-phenyl]piperazino]ethanone Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23FN4O3/c1-15(27)23-8-10-24(11-9-23)20-13-19(18(22)12-21(20)26(28)29)25-7-6-16-4-2-3-5-17(16)14-25/h2-5,12-13H,6-11,14H2,1H3