5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2-fluoranyl-4-nitro-aniline

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2-fluoranyl-4-nitro-aniline Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2-fluoro-4-nitro-aniline CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2-fluoro-4-nitroaniline IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2-fluoro-4-nitroaniline Traditional Name: [5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-fluoro-4-nitro-phenyl]-diethyl-amine Formula: C19H22FN3O2 MolecularWeight: 343.395283

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])F

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])F

InChI

InChI=1S/C19H22FN3O2/c1-3-21(4-2)17-12-18(19(23(24)25)11-16(17)20)22-10-9-14-7-5-6-8-15(14)13-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3