N-[(1S)-1-(4-fluorophenyl)ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: [(1S)-1-(4-fluorophenyl)ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C17H14FN3O2 MolecularWeight: 311.310363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O2/c1-11(12-2-4-13(18)5-3-12)20-16-6-7-17(21(22)23)15-10-19-9-8-14(15)16/h2-11,20H,1H3/t11-/m0/s1